4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile

C21H15N3O — CID 122622257

IUPAC4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile
SMILESCOc1ccc(C#N)c(-c2cnc3cc[nH]c3c2)c1-c1ccccc1
InChIInChI=1S/C21H15N3O/c1-25-19-8-7-15(12-22)20(21(19)14-5-3-2-4-6-14)16-11-18-17(24-13-16)9-10-23-18/h2-11,13,23H,1H3
InChIKeyCGZBOCDBZDVYFF-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.78
Rot. Bonds3

About 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile

4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile (PubChem CID 122622257) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile
PubChem CID122622257
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile
SMILESCOc1ccc(C#N)c(-c2cnc3cc[nH]c3c2)c1-c1ccccc1
InChIInChI=1S/C21H15N3O/c1-25-19-8-7-15(12-22)20(21(19)14-5-3-2-4-6-14)16-11-18-17(24-13-16)9-10-23-18/h2-11,13,23H,1H3
InChIKeyCGZBOCDBZDVYFF-UHFFFAOYSA-N
XLogP4.78
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-methyl-4-phenylquinoline-3-carbonitrile
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2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
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6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 68506103
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
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5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile?
The IUPAC name of 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile (CID 122622257) is 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile.
What is the SMILES notation for 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile?
The canonical SMILES for 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile is COc1ccc(C#N)c(-c2cnc3cc[nH]c3c2)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile?
The InChIKey is CGZBOCDBZDVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c1-25-19-8-7-15(12-22)20(21(19)14-5-3-2-4-6-14)16-11-18-17(24-13-16)9-10-23-18/h2-11,13,23H,1H3.
What are the key properties of 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile?
4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile is sourced from PubChem (CID 122622257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).