4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine

C28H32N6O — CID 144996966

IUPAC4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
SMILESCN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(N(C)C)nc2)n2cncc12
InChIInChI=1S/C22H19N5O.C6H13N/c1-26(2)21-9-8-17(12-25-21)22-18(16-6-4-15(11-23)5-7-16)10-20(28-3)19-13-24-14-27(19)22;1-7-5-3-2-4-6-7/h4-10,12-14H,1-3H3;2-6H2,1H3
InChIKeyXYAVSGMIGCAXQM-UHFFFAOYSA-N
MW468.61 g/mol
LogP5.11
Rot. Bonds4

About 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine

4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine (PubChem CID 144996966) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine.

Molecular Properties

Compound Name4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
PubChem CID144996966
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
SMILESCN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(N(C)C)nc2)n2cncc12
InChIInChI=1S/C22H19N5O.C6H13N/c1-26(2)21-9-8-17(12-25-21)22-18(16-6-4-15(11-23)5-7-16)10-20(28-3)19-13-24-14-27(19)22;1-7-5-3-2-4-6-7/h4-10,12-14H,1-3H3;2-6H2,1H3
InChIKeyXYAVSGMIGCAXQM-UHFFFAOYSA-N
XLogP5.11
TPSA69.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996918
4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996974
4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine
CID 144996855
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-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647425
4-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996879
4-[5-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647429
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-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647497

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?
The IUPAC name of 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine (CID 144996966) is 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine.
What is the SMILES notation for 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?
The canonical SMILES for 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine is CN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(N(C)C)nc2)n2cncc12.
What is the InChIKey of 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?
The InChIKey is XYAVSGMIGCAXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.C6H13N/c1-26(2)21-9-8-17(12-25-21)22-18(16-6-4-15(11-23)5-7-16)10-20(28-3)19-13-24-14-27(19)22;1-7-5-3-2-4-6-7/h4-10,12-14H,1-3H3;2-6H2,1H3.
What are the key properties of 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine?
4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine has a molecular weight of 468.61 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine is sourced from PubChem (CID 144996966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).