3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole

C35H36N2O — CID 54456654

IUPAC3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
SMILESCc1cn(CC(C)C)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12
InChIInChI=1S/C35H36N2O/c1-25(2)22-37-23-26(3)33-12-10-31(18-34(33)37)35(19-27-13-15-36-16-14-27)20-29-9-11-32(17-30(29)21-35)38-24-28-7-5-4-6-8-28/h4-18,23,25H,19-22,24H2,1-3H3
InChIKeyWYQUZHIPGAVGBX-UHFFFAOYSA-N
MW500.69 g/mol
LogP7.86
Rot. Bonds8

About 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole

3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (PubChem CID 54456654) has the molecular formula C35H36N2O and a molecular weight of 500.69 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
PubChem CID54456654
Molecular FormulaC35H36N2O
Molecular Weight500.69 g/mol
Exact Mass500.28
IUPAC Name3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
SMILESCc1cn(CC(C)C)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12
InChIInChI=1S/C35H36N2O/c1-25(2)22-37-23-26(3)33-12-10-31(18-34(33)37)35(19-27-13-15-36-16-14-27)20-29-9-11-32(17-30(29)21-35)38-24-28-7-5-4-6-8-28/h4-18,23,25H,19-22,24H2,1-3H3
InChIKeyWYQUZHIPGAVGBX-UHFFFAOYSA-N
XLogP7.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (CID 54456654) is 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is Cc1cn(CC(C)C)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The InChIKey is WYQUZHIPGAVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O/c1-25(2)22-37-23-26(3)33-12-10-31(18-34(33)37)35(19-27-13-15-36-16-14-27)20-29-9-11-32(17-30(29)21-35)38-24-28-7-5-4-6-8-28/h4-18,23,25H,19-22,24H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole has a molecular weight of 500.69 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is sourced from PubChem (CID 54456654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).