4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile

C23H21N7O — CID 144996918

IUPAC4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2cnc(N(N)C3CC3)c(N)c2)n2cncc12
InChIInChI=1S/C23H21N7O/c1-31-21-9-18(15-4-2-14(10-24)3-5-15)22(29-13-27-12-20(21)29)16-8-19(25)23(28-11-16)30(26)17-6-7-17/h2-5,8-9,11-13,17H,6-7,25-26H2,1H3
InChIKeyFQDVVQSCBRNRRQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.37
Rot. Bonds5

About 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 144996918) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID144996918
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2cnc(N(N)C3CC3)c(N)c2)n2cncc12
InChIInChI=1S/C23H21N7O/c1-31-21-9-18(15-4-2-14(10-24)3-5-15)22(29-13-27-12-20(21)29)16-8-19(25)23(28-11-16)30(26)17-6-7-17/h2-5,8-9,11-13,17H,6-7,25-26H2,1H3
InChIKeyFQDVVQSCBRNRRQ-UHFFFAOYSA-N
XLogP3.37
TPSA118.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996974
4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996966
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-(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-[8-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996879
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-(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
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-(1,2-dimethylbenzimidazol-5-yl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996910
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
4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647388

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 144996918) is 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1cc(-c2ccc(C#N)cc2)c(-c2cnc(N(N)C3CC3)c(N)c2)n2cncc12.
What is the InChIKey of 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is FQDVVQSCBRNRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-31-21-9-18(15-4-2-14(10-24)3-5-15)22(29-13-27-12-20(21)29)16-8-19(25)23(28-11-16)30(26)17-6-7-17/h2-5,8-9,11-13,17H,6-7,25-26H2,1H3.
What are the key properties of 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 411.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 144996918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).