4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile

C30H19N5O2 — CID 136854497

IUPAC4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)ccc1O
InChIInChI=1S/C30H19N5O2/c1-37-27-12-17(10-11-26(27)36)28-20(13-31)29(22-15-33-24-8-4-2-6-18(22)24)35-30(21(28)14-32)23-16-34-25-9-5-3-7-19(23)25/h2-12,15-16,33-34,36H,1H3
InChIKeySVAOBMQWMQMMMY-UHFFFAOYSA-N
MW481.52 g/mol
LogP6.50
Rot. Bonds4

About 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile

4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile (PubChem CID 136854497) has the molecular formula C30H19N5O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
PubChem CID136854497
Molecular FormulaC30H19N5O2
Molecular Weight481.52 g/mol
Exact Mass481.15
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)ccc1O
InChIInChI=1S/C30H19N5O2/c1-37-27-12-17(10-11-26(27)36)28-20(13-31)29(22-15-33-24-8-4-2-6-18(22)24)35-30(21(28)14-32)23-16-34-25-9-5-3-7-19(23)25/h2-12,15-16,33-34,36H,1H3
InChIKeySVAOBMQWMQMMMY-UHFFFAOYSA-N
XLogP6.50
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
CID 135883364
4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
CID 15425105
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
CID 170990560
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
CID 171343468
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 135980988
2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile
CID 102483282
1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
2-methoxy-4-[2-(methoxymethyl)naphthalen-1-yl]phenol
CID 172890355

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile (CID 136854497) is 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile is COc1cc(-c2c(C#N)c(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2C#N)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is SVAOBMQWMQMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5O2/c1-37-27-12-17(10-11-26(27)36)28-20(13-31)29(22-15-33-24-8-4-2-6-18(22)24)35-30(21(28)14-32)23-16-34-25-9-5-3-7-19(23)25/h2-12,15-16,33-34,36H,1H3.
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile?
4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 481.52 g/mol, XLogP of 6.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 136854497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).