2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole

C35H37N3O2 — CID 150398098

IUPAC2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccc(N5CCC(c6ccncc6)CC5)cc4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C35H37N3O2/c1-23(2)34-30-21-27(7-11-31(30)37-35(34)28-8-12-32(39-3)33(22-28)40-4)24-5-9-29(10-6-24)38-19-15-26(16-20-38)25-13-17-36-18-14-25/h5-14,17-18,21-23,26,37H,15-16,19-20H2,1-4H3
InChIKeyHDECQRMIBYWTIO-UHFFFAOYSA-N
MW531.70 g/mol
LogP8.42
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole

2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole (PubChem CID 150398098) has the molecular formula C35H37N3O2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole
PubChem CID150398098
Molecular FormulaC35H37N3O2
Molecular Weight531.70 g/mol
Exact Mass531.29
IUPAC Name2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccc(N5CCC(c6ccncc6)CC5)cc4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C35H37N3O2/c1-23(2)34-30-21-27(7-11-31(30)37-35(34)28-8-12-32(39-3)33(22-28)40-4)24-5-9-29(10-6-24)38-19-15-26(16-20-38)25-13-17-36-18-14-25/h5-14,17-18,21-23,26,37H,15-16,19-20H2,1-4H3
InChIKeyHDECQRMIBYWTIO-UHFFFAOYSA-N
XLogP8.42
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-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 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole (CID 150398098) is 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole is COc1ccc(-c2[nH]c3ccc(-c4ccc(N5CCC(c6ccncc6)CC5)cc4)cc3c2C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole?
The InChIKey is HDECQRMIBYWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2/c1-23(2)34-30-21-27(7-11-31(30)37-35(34)28-8-12-32(39-3)33(22-28)40-4)24-5-9-29(10-6-24)38-19-15-26(16-20-38)25-13-17-36-18-14-25/h5-14,17-18,21-23,26,37H,15-16,19-20H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole?
2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole has a molecular weight of 531.70 g/mol, XLogP of 8.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]-1H-indole is sourced from PubChem (CID 150398098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).