[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C27H36N6O — CID 97447146

IUPAC[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C27H36N6O/c34-27(32-16-11-22(12-17-32)31-13-6-7-14-31)25-24-10-4-5-15-33(24)26(29-25)23-19-30(20-28-23)18-21-8-2-1-3-9-21/h4-5,10,15,19-22H,1-3,6-9,11-14,16-18H2
InChIKeyJRWGTLDGHKKOGU-UHFFFAOYSA-N
MW460.63 g/mol
LogP4.48
Rot. Bonds5

About [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 97447146) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID97447146
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC Name[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C27H36N6O/c34-27(32-16-11-22(12-17-32)31-13-6-7-14-31)25-24-10-4-5-15-33(24)26(29-25)23-19-30(20-28-23)18-21-8-2-1-3-9-21/h4-5,10,15,19-22H,1-3,6-9,11-14,16-18H2
InChIKeyJRWGTLDGHKKOGU-UHFFFAOYSA-N
XLogP4.48
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 97446734
[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 97447020
(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-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234
azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109071586
3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447006
(2-ethylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068501
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97447182
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 97447146) is [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JRWGTLDGHKKOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c34-27(32-16-11-22(12-17-32)31-13-6-7-14-31)25-24-10-4-5-15-33(24)26(29-25)23-19-30(20-28-23)18-21-8-2-1-3-9-21/h4-5,10,15,19-22H,1-3,6-9,11-14,16-18H2.
What are the key properties of [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 460.63 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 97447146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).