6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole

C25H24ClN3 — CID 70023341

IUPAC6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole
SMILESClc1ccc2c(C3CC=CCN3CC3CCc4c3ccc3cc[nH]c43)c[nH]c2c1
InChIInChI=1S/C25H24ClN3/c26-18-6-9-20-22(14-28-23(20)13-18)24-3-1-2-12-29(24)15-17-5-8-21-19(17)7-4-16-10-11-27-25(16)21/h1-2,4,6-7,9-11,13-14,17,24,27-28H,3,5,8,12,15H2
InChIKeyWOLJJAPMOQXGLE-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.34
Rot. Bonds3

About 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole

6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole (PubChem CID 70023341) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole.

Molecular Properties

Compound Name6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole
PubChem CID70023341
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole
SMILESClc1ccc2c(C3CC=CCN3CC3CCc4c3ccc3cc[nH]c43)c[nH]c2c1
InChIInChI=1S/C25H24ClN3/c26-18-6-9-20-22(14-28-23(20)13-18)24-3-1-2-12-29(24)15-17-5-8-21-19(17)7-4-16-10-11-27-25(16)21/h1-2,4,6-7,9-11,13-14,17,24,27-28H,3,5,8,12,15H2
InChIKeyWOLJJAPMOQXGLE-UHFFFAOYSA-N
XLogP6.34
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole?
The IUPAC name of 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole (CID 70023341) is 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole.
What is the SMILES notation for 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole?
The canonical SMILES for 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole is Clc1ccc2c(C3CC=CCN3CC3CCc4c3ccc3cc[nH]c43)c[nH]c2c1.
What is the InChIKey of 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole?
The InChIKey is WOLJJAPMOQXGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c26-18-6-9-20-22(14-28-23(20)13-18)24-3-1-2-12-29(24)15-17-5-8-21-19(17)7-4-16-10-11-27-25(16)21/h1-2,4,6-7,9-11,13-14,17,24,27-28H,3,5,8,12,15H2.
What are the key properties of 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole?
6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole has a molecular weight of 401.94 g/mol, XLogP of 6.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole is sourced from PubChem (CID 70023341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).