2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone

C26H27N5O — CID 131673414

IUPAC2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(C)C(c3ncn4cc(-c5cccnc5)ccc34)C2)cc1
InChIInChI=1S/C26H27N5O/c1-19-5-7-20(8-6-19)14-25(32)30-13-12-29(2)24(17-30)26-23-10-9-22(16-31(23)18-28-26)21-4-3-11-27-15-21/h3-11,15-16,18,24H,12-14,17H2,1-2H3
InChIKeyXKGWFJUJTABJGL-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone (PubChem CID 131673414) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone
PubChem CID131673414
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(C)C(c3ncn4cc(-c5cccnc5)ccc34)C2)cc1
InChIInChI=1S/C26H27N5O/c1-19-5-7-20(8-6-19)14-25(32)30-13-12-29(2)24(17-30)26-23-10-9-22(16-31(23)18-28-26)21-4-3-11-27-15-21/h3-11,15-16,18,24H,12-14,17H2,1-2H3
InChIKeyXKGWFJUJTABJGL-UHFFFAOYSA-N
XLogP3.76
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 131673407
1-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-phenylimidazo[1,5-a]pyridine
CID 131673402
furan-2-yl-[2-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)pyrrolidin-1-yl]methanone
CID 131668798
1-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-6-pyridin-3-ylimidazo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155847039
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
CID 131671067
2-(5-fluoro-2-pyridinyl)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]ethanone
CID 131681880
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-[(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95110073
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610624
2-(4-chlorophenyl)-1-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110214401

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone (CID 131673414) is 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCN(C)C(c3ncn4cc(-c5cccnc5)ccc34)C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone?
The InChIKey is XKGWFJUJTABJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-5-7-20(8-6-19)14-25(32)30-13-12-29(2)24(17-30)26-23-10-9-22(16-31(23)18-28-26)21-4-3-11-27-15-21/h3-11,15-16,18,24H,12-14,17H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone has a molecular weight of 425.54 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 131673414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).