1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

C110H104F18N20O6 — CID 158084258

IUPAC1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
SMILESCC(=O)N1CCc2c(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n[nH]c2C1.Cc1ccc2nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)cn2n1.Cc1ccn2c(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)nnc2c1.O=C(c1[nH]nc2ncccc12)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1
InChIInChI=1S/C23H25F3N4O2.C22H18F6N4O.2C22H21F3N4O.C21H19F3N4O/c1-13(31)29-7-6-18-20(12-29)27-28-21(18)22(32)30-10-15-8-14(9-16(15)11-30)17-4-2-3-5-19(17)23(24,25)26;23-21(24,25)15-5-6-32-18(9-15)29-30-19(32)20(33)31-10-13-7-12(8-14(13)11-31)16-3-1-2-4-17(16)22(26,27)28;1-13-6-7-20-26-19(12-29(20)27-13)21(30)28-10-15-8-14(9-16(15)11-28)17-4-2-3-5-18(17)22(23,24)25;1-13-6-7-29-19(8-13)26-27-20(29)21(30)28-11-15-9-14(10-16(15)12-28)17-4-2-3-5-18(17)22(23,24)25;22-21(23,24)17-6-2-1-4-15(17)12-8-13-10-28(11-14(13)9-12)20(29)18-16-5-3-7-25-19(16)27-26-18/h2-5,14-16H,6-12H2,1H3,(H,27,28);1-6,9,12-14H,7-8,10-11H2;2-7,12,14-16H,8-11H2,1H3;2-8,14-16H,9-12H2,1H3;1-7,12-14H,8-11H2,(H,25,26,27)/t14?,15-,16+;12?,13-,14+;2*14?,15-,16+;12?,13-,14+
InChIKeyFNIAHYZKAIGSPJ-MLZPVQHLSA-N
MW2144.14 g/mol
LogP21.52
Rot. Bonds10

About 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone (PubChem CID 158084258) has the molecular formula C110H104F18N20O6 and a molecular weight of 2144.14 g/mol. Its IUPAC name is 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
PubChem CID158084258
Molecular FormulaC110H104F18N20O6
Molecular Weight2144.14 g/mol
Exact Mass2142.82
IUPAC Name1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
SMILESCC(=O)N1CCc2c(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n[nH]c2C1.Cc1ccc2nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)cn2n1.Cc1ccn2c(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)nnc2c1.O=C(c1[nH]nc2ncccc12)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1
InChIInChI=1S/C23H25F3N4O2.C22H18F6N4O.2C22H21F3N4O.C21H19F3N4O/c1-13(31)29-7-6-18-20(12-29)27-28-21(18)22(32)30-10-15-8-14(9-16(15)11-30)17-4-2-3-5-19(17)23(24,25)26;23-21(24,25)15-5-6-32-18(9-15)29-30-19(32)20(33)31-10-13-7-12(8-14(13)11-31)16-3-1-2-4-17(16)22(26,27)28;1-13-6-7-20-26-19(12-29(20)27-13)21(30)28-10-15-8-14(9-16(15)11-28)17-4-2-3-5-18(17)22(23,24)25;1-13-6-7-29-19(8-13)26-27-20(29)21(30)28-11-15-9-14(10-16(15)12-28)17-4-2-3-5-18(17)22(23,24)25;22-21(23,24)17-6-2-1-4-15(17)12-8-13-10-28(11-14(13)9-12)20(29)18-16-5-3-7-25-19(16)27-26-18/h2-5,14-16H,6-12H2,1H3,(H,27,28);1-6,9,12-14H,7-8,10-11H2;2-7,12,14-16H,8-11H2,1H3;2-8,14-16H,9-12H2,1H3;1-7,12-14H,8-11H2,(H,25,26,27)/t14?,15-,16+;12?,13-,14+;2*14?,15-,16+;12?,13-,14+
InChIKeyFNIAHYZKAIGSPJ-MLZPVQHLSA-N
XLogP21.52
TPSA282.68 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002144.14
LogP ≤ 521.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone with MolForge

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Related Compounds

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91467421
3-(2-methoxypyrimidin-5-yl)-N-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 156112382
[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
CID 157078919
CID 157182652
CID 157182652
4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone
CID 157185079
[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 157192282
[4-[8-tert-butyl-6-(4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyl-1H-imidazol-5-yl)piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
CID 157222251
2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
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1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
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bis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;N-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanone
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2-methyl-N-(4-methylphenyl)-5-[3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;bis(N-(4-methylphenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide);N-(4-methylphenyl)-5-(3-pyrimidin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157377466
[8-tert-butyl-6-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone
CID 157413742

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?
The IUPAC name of 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone (CID 158084258) is 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone.
What is the SMILES notation for 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?
The canonical SMILES for 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone is CC(=O)N1CCc2c(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)n[nH]c2C1.Cc1ccc2nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)cn2n1.Cc1ccn2c(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)nnc2c1.O=C(c1[nH]nc2ncccc12)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.
What is the InChIKey of 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?
The InChIKey is FNIAHYZKAIGSPJ-MLZPVQHLSA-N. The full InChI is InChI=1S/C23H25F3N4O2.C22H18F6N4O.2C22H21F3N4O.C21H19F3N4O/c1-13(31)29-7-6-18-20(12-29)27-28-21(18)22(32)30-10-15-8-14(9-16(15)11-30)17-4-2-3-5-19(17)23(24,25)26;23-21(24,25)15-5-6-32-18(9-15)29-30-19(32)20(33)31-10-13-7-12(8-14(13)11-31)16-3-1-2-4-17(16)22(26,27)28;1-13-6-7-20-26-19(12-29(20)27-13)21(30)28-10-15-8-14(9-16(15)11-28)17-4-2-3-5-18(17)22(23,24)25;1-13-6-7-29-19(8-13)26-27-20(29)21(30)28-11-15-9-14(10-16(15)12-28)17-4-2-3-5-18(17)22(23,24)25;22-21(23,24)17-6-2-1-4-15(17)12-8-13-10-28(11-14(13)9-12)20(29)18-16-5-3-7-25-19(16)27-26-18/h2-5,14-16H,6-12H2,1H3,(H,27,28);1-6,9,12-14H,7-8,10-11H2;2-7,12,14-16H,8-11H2,1H3;2-8,14-16H,9-12H2,1H3;1-7,12-14H,8-11H2,(H,25,26,27)/t14?,15-,16+;12?,13-,14+;2*14?,15-,16+;12?,13-,14+.
What are the key properties of 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?
1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone has a molecular weight of 2144.14 g/mol, XLogP of 21.52, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone is sourced from PubChem (CID 158084258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).