Tepirindole
PubChem CID: 68915
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| Compound Synonyms | Tepirindole, Tepirindol, Tepirindole [INN], Tepirindolum, 72808-81-2, RU 27592, Tepirindol [Spanish], Tepirindolum [Latin], UNII-X235XX30GK, X235XX30GK, Tepirindolum (Latin), 1H-Indole, 5-chloro-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, HR 592, SCHEMBL635174, CHEMBL2105413, DTXSID30868175, 5-chloro-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole, Q27293357, 5-Chloro-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridyl)indole, 5-Chloro-3-(1-propyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 19.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCC3CCCCC32)CC1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | CCCNCCC=CC6))cc[nH]cc5ccCl)cc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NCC2C1CCNCC1 |
| Classyfire Subclass | Indoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-chloro-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H19ClN2 |
| Scaffold Graph Node Bond Level | C1=C(c2c[nH]c3ccccc23)CCNC1 |
| Inchi Key | ZRCUMOBNOPSLKM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | tepurindiol |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cC(C)=CC, cCl, c[nH]c |
| Compound Name | Tepirindole |
| Exact Mass | 274.124 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.124 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 274.79 |
| 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/C16H19ClN2/c1-2-7-19-8-5-12(6-9-19)15-11-18-16-4-3-13(17)10-14(15)16/h3-5,10-11,18H,2,6-9H2,1H3 |
| Smiles | CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl |
| 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 Tephrosia Purpurea (Plant) Rel Props:Reference:ISBN:9788172363178