[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C27H25N7O — CID 97447020

IUPAC[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C27H25N7O/c35-27(33-16-14-32(15-17-33)22-9-11-28-12-10-22)25-24-8-4-5-13-34(24)26(30-25)23-19-31(20-29-23)18-21-6-2-1-3-7-21/h1-13,19-20H,14-18H2
InChIKeyNENMDSMVRMIRHP-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.60
Rot. Bonds5

About [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 97447020) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID97447020
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C27H25N7O/c35-27(33-16-14-32(15-17-33)22-9-11-28-12-10-22)25-24-8-4-5-13-34(24)26(30-25)23-19-31(20-29-23)18-21-6-2-1-3-7-21/h1-13,19-20H,14-18H2
InChIKeyNENMDSMVRMIRHP-UHFFFAOYSA-N
XLogP3.60
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1-cyclopentylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 97447152
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97447182
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 97447078
(3-methylimidazo[1,5-a]pyridin-1-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110648923
[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 97446913
3-(1-phenylimidazol-4-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447063
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 44579866
(3-tert-butylimidazo[1,5-a]pyridin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110414706
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31566098

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 97447020) is [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is NENMDSMVRMIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c35-27(33-16-14-32(15-17-33)22-9-11-28-12-10-22)25-24-8-4-5-13-34(24)26(30-25)23-19-31(20-29-23)18-21-6-2-1-3-7-21/h1-13,19-20H,14-18H2.
What are the key properties of [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 463.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 97447020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).