1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

C21H21N3O — CID 56951279

IUPAC1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc3c(C#N)cn(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C21H21N3O/c1-25-18-9-7-15(8-10-18)20-12-11-19-16(13-22)14-24(21(19)23-20)17-5-3-2-4-6-17/h7-12,14,17H,2-6H2,1H3
InChIKeyGSTLRVBCTPMABO-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.09
Rot. Bonds3

About 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 56951279) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID56951279
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc3c(C#N)cn(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C21H21N3O/c1-25-18-9-7-15(8-10-18)20-12-11-19-16(13-22)14-24(21(19)23-20)17-5-3-2-4-6-17/h7-12,14,17H,2-6H2,1H3
InChIKeyGSTLRVBCTPMABO-UHFFFAOYSA-N
XLogP5.09
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-6-hydroxyindole-3-carbonitrile;1-cyclobutyl-6-methoxyindole-3-carbonitrile
CID 158263039
1-cyclobutylpyrrolo[2,3-b]pyridine-3-carbonitrile
CID 67608539
1-cyclobutyl-6-methylindole-3-carbonitrile
CID 58490959
2,6-bis(4-methoxyphenyl)-9-sulfanylpyrido[2,3-b]indole
CID 66767412
2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 21001907
1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992730
2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117128487
N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 15999570
2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
CID 865254
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
10-cyclohexyl-4-(4-methoxyphenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898519

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 56951279) is 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is COc1ccc(-c2ccc3c(C#N)cn(C4CCCCC4)c3n2)cc1.
What is the InChIKey of 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is GSTLRVBCTPMABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-25-18-9-7-15(8-10-18)20-12-11-19-16(13-22)14-24(21(19)23-20)17-5-3-2-4-6-17/h7-12,14,17H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 331.42 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56951279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).