2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

C32H23N3O2 — CID 137346423

IUPAC2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cc(-c3cc4ccccc4oc3=O)nc(-c3c[nH]c4ccccc34)c2C#N)cc1
InChIInChI=1S/C32H23N3O2/c1-19(2)20-11-13-21(14-12-20)24-16-29(25-15-22-7-3-6-10-30(22)37-32(25)36)35-31(26(24)17-33)27-18-34-28-9-5-4-8-23(27)28/h3-16,18-19,34H,1-2H3
InChIKeyAZVMHCZULHZFIH-UHFFFAOYSA-N
MW481.56 g/mol
LogP7.67
Rot. Bonds4

About 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (PubChem CID 137346423) has the molecular formula C32H23N3O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
PubChem CID137346423
Molecular FormulaC32H23N3O2
Molecular Weight481.56 g/mol
Exact Mass481.18
IUPAC Name2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cc(-c3cc4ccccc4oc3=O)nc(-c3c[nH]c4ccccc34)c2C#N)cc1
InChIInChI=1S/C32H23N3O2/c1-19(2)20-11-13-21(14-12-20)24-16-29(25-15-22-7-3-6-10-30(22)37-32(25)36)35-31(26(24)17-33)27-18-34-28-9-5-4-8-23(27)28/h3-16,18-19,34H,1-2H3
InChIKeyAZVMHCZULHZFIH-UHFFFAOYSA-N
XLogP7.67
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-6-[7-(diethylamino)-2-oxochromen-3-yl]-2-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 137346450
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 71481732
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
CID 171343468
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
2-amino-4-(furan-3-yl)-6-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 56873920
4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
4-(3,4-dichlorophenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 137254118
N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (CID 137346423) is 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is CC(C)c1ccc(-c2cc(-c3cc4ccccc4oc3=O)nc(-c3c[nH]c4ccccc34)c2C#N)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is AZVMHCZULHZFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O2/c1-19(2)20-11-13-21(14-12-20)24-16-29(25-15-22-7-3-6-10-30(22)37-32(25)36)35-31(26(24)17-33)27-18-34-28-9-5-4-8-23(27)28/h3-16,18-19,34H,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 7.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 137346423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).