1-Azacarbazole
PubChem CID: 67486
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| Compound Synonyms | 9H-Pyrido[2,3-b]indole, 244-76-8, alpha-Carboline, 1-azacarbazole, a-Carboline, 9H-1,9-Diazafluorene, 3-Carboline, 1H-Pyrido(2,3-b)indole, 1H-Pyrido[2,3-b]indole, NSC 67064, 274Z75I9BQ, EINECS 205-960-6, .ALPHA.-CARBOLINE, MFCD00473709, NSC-67064, 1,9-DIAZAFLUORENE, N-.ALPHA.-CARBOLINE, DTXSID40179148, 9H-PYRIDO(2,3-B)INDOLE, azacarbazole, UNII-274Z75I9BQ, alpha -Carboline, I+/--carboline, alpha-carboline, 99%, SpecPlus_000617, N-ALPHA-CARBOLINE, SCHEMBL9145, DivK1c_006713, 9H-Pyrido[2,3-b]indole #, CHEMBL259556, 9H-?pyrido[2,3-?b]?indole, KBio1_001657, DTXCID70101639, CHEBI:182292, BCP20997, NSC67064, 1H-Pyrido(2,3-b)indole (8CI), STL301814, AKOS015918052, DS-4768, FC19715, SB66733, DA-35372, SY055484, 1H-Pyrido(2,3-b)indole (8CI)(9CI), CS-0147267, NS00027675, P2310, O11680, Q27254162, Z3234909647, 9H-Pyrido[2,3-b]indole, 1,9-Diazafluorene 1-azacarbazole, 9H-1,9-Diazafluorene, 205-960-6, 9H-Pyrido[2,3-b]indole, (c) paragraph sign-Carboline, 1,9-Diazafluorene 1-Azacarbazole, 9H-1,9-Diazafluorene, InChI=1/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | cccccc6)[nH]cc5cccn6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1NCCCC12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9H-pyrido[2,3-b]indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8N2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ncccc12 |
| Inchi Key | BPMFPOGUJAAYHL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | carboline |
| Esol Class | Soluble |
| Functional Groups | c[nH]c, cnc |
| Compound Name | 1-Azacarbazole |
| Exact Mass | 168.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.069 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13) |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)N=CC=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Reference:ISBN:9788172360481