Bms-813160
N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
Molecular Identity
Bms-813160
N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
PubChem CID: 51039119
2D Structure
Properties
C25H40N8O2
Molecular Formula
484.60
Molecular Weight
g/mol
484.3274
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
778
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC1CC(CCC1N2CCC(C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)CIsomeric SMILES
SMILES: CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)CSynonyms(20)
BMS-8131601286279-29-5BMS 813160N-[(1R,2S,5R)-5-[(1,1-Dimethylethyl)amino]-2-[(3S)-3-[[7-(1,1-dimethylethyl)pyrazolo[1,5-a]-1,3,5-triazin-4-yl]amino]-2-oxo-1-pyrrolidinyl]cyclohexyl]acetamide83U7957287Acetamide, N-((1R,2S,5R)-5-((1,1-dimethylethyl)amino)-2-((3S)-3-((7-(1,1-dimethylethyl)pyrazolo(1,5-a)-1,3,5-triazin-4-yl)amino)-2-oxo-1-pyrrolidinyl)cyclohexyl)-N-((1R,2S,5R)-5-((1,1-Dimethylethyl)amino)-2-((3S)-3-((7-(1,1-dimethylethyl)pyrazolo(1,5-a)-1,3,5-triazin-4-yl)amino)-2-oxo-1-pyrrolidinyl)cyclohexyl)acetamideRefChem:120744CCR2/CCR5 Antagonist BMS-813160(S)-1-((1S,2R,4R)-4-isopropyl(methyl)amino)-2-propylcyclohexyl)-3-(6(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-oneBMS813160N-((1R,2S,5R)-2-((S)-3-((7-(tert-butyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl)amino)-2-oxopyrrolidin-1-yl)-5-(tert-butylamino)cyclohexyl)acetamideN-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamideBMS 813160 - Bio-XMFCD31540731
Data from PubChem (NCBI)
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