4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile

C23H19N3O2 — CID 144996974

IUPAC4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C(C)O)cc2)n2cncc12
InChIInChI=1S/C23H19N3O2/c1-15(27)17-7-9-19(10-8-17)23-20(18-5-3-16(12-24)4-6-18)11-22(28-2)21-13-25-14-26(21)23/h3-11,13-15,27H,1-2H3
InChIKeyRPGLLUUFFWYIMT-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.60
Rot. Bonds4

About 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 144996974) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID144996974
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C(C)O)cc2)n2cncc12
InChIInChI=1S/C23H19N3O2/c1-15(27)17-7-9-19(10-8-17)23-20(18-5-3-16(12-24)4-6-18)11-22(28-2)21-13-25-14-26(21)23/h3-11,13-15,27H,1-2H3
InChIKeyRPGLLUUFFWYIMT-UHFFFAOYSA-N
XLogP4.60
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996879
4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996918
4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996966
4-[5-(1,2-dimethylbenzimidazol-5-yl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996910
4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996948
4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine
CID 144996855
6-(4-fluorophenyl)-8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridine;pyrrolidine
CID 144996955
4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996951
4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647425
4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647481
4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647536
4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-8-[[(3R)-1-ethylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647354

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 144996974) is 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C(C)O)cc2)n2cncc12.
What is the InChIKey of 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is RPGLLUUFFWYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15(27)17-7-9-19(10-8-17)23-20(18-5-3-16(12-24)4-6-18)11-22(28-2)21-13-25-14-26(21)23/h3-11,13-15,27H,1-2H3.
What are the key properties of 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 369.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 144996974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).