4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine

C22H25ClN4O — CID 144996855

IUPAC4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine
SMILESCCN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(Cl)n2cncc12
InChIInChI=1S/C15H10ClN3O.C7H15N/c1-20-14-6-12(11-4-2-10(7-17)3-5-11)15(16)19-9-18-8-13(14)19;1-2-8-6-4-3-5-7-8/h2-6,8-9H,1H3;2-7H2,1H3
InChIKeyBRKXBWBHFMLAPY-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.03
Rot. Bonds3

About 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine

4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine (PubChem CID 144996855) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine.

Molecular Properties

Compound Name4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine
PubChem CID144996855
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine
SMILESCCN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(Cl)n2cncc12
InChIInChI=1S/C15H10ClN3O.C7H15N/c1-20-14-6-12(11-4-2-10(7-17)3-5-11)15(16)19-9-18-8-13(14)19;1-2-8-6-4-3-5-7-8/h2-6,8-9H,1H3;2-7H2,1H3
InChIKeyBRKXBWBHFMLAPY-UHFFFAOYSA-N
XLogP5.03
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996966
4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 150652221
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-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996974
4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996951
4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647477
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-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996918
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine?
The IUPAC name of 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine (CID 144996855) is 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine.
What is the SMILES notation for 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine?
The canonical SMILES for 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine is CCN1CCCCC1.COc1cc(-c2ccc(C#N)cc2)c(Cl)n2cncc12.
What is the InChIKey of 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine?
The InChIKey is BRKXBWBHFMLAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O.C7H15N/c1-20-14-6-12(11-4-2-10(7-17)3-5-11)15(16)19-9-18-8-13(14)19;1-2-8-6-4-3-5-7-8/h2-6,8-9H,1H3;2-7H2,1H3.
What are the key properties of 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine?
4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine has a molecular weight of 396.92 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine is sourced from PubChem (CID 144996855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).