(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

C25H37F2N5O — CID 178028118

IUPAC(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
SMILESCc1cccn2c(C(C)(C)NC(=O)[C@@H]3CN(C)CCN3CC3(C)CCC(F)(F)CC3)ncc12
InChIInChI=1S/C25H37F2N5O/c1-18-7-6-12-32-19(18)15-28-22(32)23(2,3)29-21(33)20-16-30(5)13-14-31(20)17-24(4)8-10-25(26,27)11-9-24/h6-7,12,15,20H,8-11,13-14,16-17H2,1-5H3,(H,29,33)/t20-/m0/s1
InChIKeyCTUCAAQXRTTXQO-FQEVSTJZSA-N
MW461.60 g/mol
LogP3.83
Rot. Bonds5

About (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

(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 (PubChem CID 178028118) has the molecular formula C25H37F2N5O and a molecular weight of 461.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID178028118
Molecular FormulaC25H37F2N5O
Molecular Weight461.60 g/mol
Exact Mass461.30
IUPAC Name(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
SMILESCc1cccn2c(C(C)(C)NC(=O)[C@@H]3CN(C)CCN3CC3(C)CCC(F)(F)CC3)ncc12
InChIInChI=1S/C25H37F2N5O/c1-18-7-6-12-32-19(18)15-28-22(32)23(2,3)29-21(33)20-16-30(5)13-14-31(20)17-24(4)8-10-25(26,27)11-9-24/h6-7,12,15,20H,8-11,13-14,16-17H2,1-5H3,(H,29,33)/t20-/m0/s1
InChIKeyCTUCAAQXRTTXQO-FQEVSTJZSA-N
XLogP3.83
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide
CID 178028102
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]piperazine-2-carboxamide
CID 178028099
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-4-(oxetan-3-yl)piperazine-2-carboxamide
CID 178028101
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-2-carboxamide;hydrochloride
CID 175904542
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
2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
CID 174235429
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
(2S)-N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]morpholine-2-carboxamide
CID 121346560
(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
(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 139459325
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccn2c(C(C)(C)NC(=O)[C@@H]3CN(C)CCN3CC3(C)CCC(F)(F)CC3)ncc12.
What is the InChIKey of (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?
The InChIKey is CTUCAAQXRTTXQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H37F2N5O/c1-18-7-6-12-32-19(18)15-28-22(32)23(2,3)29-21(33)20-16-30(5)13-14-31(20)17-24(4)8-10-25(26,27)11-9-24/h6-7,12,15,20H,8-11,13-14,16-17H2,1-5H3,(H,29,33)/t20-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 461.60 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 178028118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).