[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone

C24H26N6O — CID 97447182

IUPAC[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(-c2nc(C(=O)N3CCN(C)CC3)c3ccccn23)cn1Cc1ccccc1
InChIInChI=1S/C24H26N6O/c1-18-25-20(17-29(18)16-19-8-4-3-5-9-19)23-26-22(21-10-6-7-11-30(21)23)24(31)28-14-12-27(2)13-15-28/h3-11,17H,12-16H2,1-2H3
InChIKeyXRRCBQWKGKMVTL-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.94
Rot. Bonds4

About [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone

[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97447182) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97447182
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(-c2nc(C(=O)N3CCN(C)CC3)c3ccccn23)cn1Cc1ccccc1
InChIInChI=1S/C24H26N6O/c1-18-25-20(17-29(18)16-19-8-4-3-5-9-19)23-26-22(21-10-6-7-11-30(21)23)24(31)28-14-12-27(2)13-15-28/h3-11,17H,12-16H2,1-2H3
InChIKeyXRRCBQWKGKMVTL-UHFFFAOYSA-N
XLogP2.94
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
(4-methyl-1,4-diazepan-1-yl)-[3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155838356
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 97447180
3-(1-benzyl-2-methylimidazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447191
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447189
[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-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
N-cyclopropyl-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109066655
N-[(4-methylphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069940
1,3-dihydroisoindol-2-yl-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 167853594

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 97447182) is [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone is Cc1nc(-c2nc(C(=O)N3CCN(C)CC3)c3ccccn23)cn1Cc1ccccc1.
What is the InChIKey of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XRRCBQWKGKMVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-18-25-20(17-29(18)16-19-8-4-3-5-9-19)23-26-22(21-10-6-7-11-30(21)23)24(31)28-14-12-27(2)13-15-28/h3-11,17H,12-16H2,1-2H3.
What are the key properties of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 414.51 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97447182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).