4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide

C23H29N5O — CID 178028102

IUPAC4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)C3CN(C)CCN3c3ccccc3)ncc12
InChIInChI=1S/C23H29N5O/c1-17-9-8-12-28-19(17)15-24-22(28)23(2,3)25-21(29)20-16-26(4)13-14-27(20)18-10-6-5-7-11-18/h5-12,15,20H,13-14,16H2,1-4H3,(H,25,29)
InChIKeyMLPNYAAKEITWEV-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.81
Rot. Bonds4

About 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide

4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide (PubChem CID 178028102) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide
PubChem CID178028102
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)C3CN(C)CCN3c3ccccc3)ncc12
InChIInChI=1S/C23H29N5O/c1-17-9-8-12-28-19(17)15-24-22(28)23(2,3)25-21(29)20-16-26(4)13-14-27(20)18-10-6-5-7-11-18/h5-12,15,20H,13-14,16H2,1-4H3,(H,25,29)
InChIKeyMLPNYAAKEITWEV-UHFFFAOYSA-N
XLogP2.81
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(4,4-difluoro-1-methylcyclohexyl)methyl]-4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]piperazine-2-carboxamide
CID 178028118
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]piperazine-2-carboxamide
CID 178028099
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-4-(oxetan-3-yl)piperazine-2-carboxamide
CID 178028101
2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
CID 174235429
2-(3-azabicyclo[3.2.1]octan-8-yl)-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide
CID 166856727
N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171598112
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
(1R,5R,6R)-1-methyl-N-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166861860
(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166862327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide (CID 178028102) is 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide is Cc1cccn2c(C(C)(C)NC(=O)C3CN(C)CCN3c3ccccc3)ncc12.
What is the InChIKey of 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide?
The InChIKey is MLPNYAAKEITWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-9-8-12-28-19(17)15-24-22(28)23(2,3)25-21(29)20-16-26(4)13-14-27(20)18-10-6-5-7-11-18/h5-12,15,20H,13-14,16H2,1-4H3,(H,25,29).
What are the key properties of 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide?
4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide is sourced from PubChem (CID 178028102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).