4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile

C30H22N4O2 — CID 171396080

IUPAC4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESCOc1cc(OC)cc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)c1
InChIInChI=1S/C30H22N4O2/c1-35-19-11-18(12-20(13-19)36-2)23-14-29(25-16-32-27-9-5-3-7-21(25)27)34-30(24(23)15-31)26-17-33-28-10-6-4-8-22(26)28/h3-14,16-17,32-33H,1-2H3
InChIKeyNGRBJMDTGMPMDA-UHFFFAOYSA-N
MW470.53 g/mol
LogP6.93
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile

4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile (PubChem CID 171396080) has the molecular formula C30H22N4O2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
PubChem CID171396080
Molecular FormulaC30H22N4O2
Molecular Weight470.53 g/mol
Exact Mass470.17
IUPAC Name4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESCOc1cc(OC)cc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)c1
InChIInChI=1S/C30H22N4O2/c1-35-19-11-18(12-20(13-19)36-2)23-14-29(25-16-32-27-9-5-3-7-21(25)27)34-30(24(23)15-31)26-17-33-28-10-6-4-8-22(26)28/h3-14,16-17,32-33H,1-2H3
InChIKeyNGRBJMDTGMPMDA-UHFFFAOYSA-N
XLogP6.93
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile 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 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile (CID 171396080) is 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile is COc1cc(OC)cc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
The InChIKey is NGRBJMDTGMPMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c1-35-19-11-18(12-20(13-19)36-2)23-14-29(25-16-32-27-9-5-3-7-21(25)27)34-30(24(23)15-31)26-17-33-28-10-6-4-8-22(26)28/h3-14,16-17,32-33H,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile has a molecular weight of 470.53 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 171396080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).