2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone

C131H130F19N19O15 — CID 158457025

IUPAC2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone
SMILESCC(=O)N1Cc2[nH]nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)c2C1.COc1ccc(NC(=O)N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c(C(=O)O)c1.O=C(O)c1cc(F)ccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(O)c1cnccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cn2nc(N3CCOCC3)ccc2n1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cnc[nH]1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1
InChIInChI=1S/C25H26F3N5O2.C23H23F3N2O4.C22H20F4N2O3.C22H23F3N4O2.C21H20F3N3O3.C18H18F3N3O/c26-25(27,28)20-4-2-1-3-19(20)16-11-17-13-32(14-18(17)12-16)24(34)21-15-33-22(29-21)5-6-23(30-33)31-7-9-35-10-8-31;1-32-16-6-7-20(18(10-16)21(29)30)27-22(31)28-11-14-8-13(9-15(14)12-28)17-4-2-3-5-19(17)23(24,25)26;23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26;1-12(30)28-10-17-19(11-28)26-27-20(17)21(31)29-8-14-6-13(7-15(14)9-29)16-4-2-3-5-18(16)22(23,24)25;22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29;19-18(20,21)15-4-2-1-3-14(15)11-5-12-8-24(9-13(12)6-11)17(25)16-7-22-10-23-16/h1-6,15-18H,7-14H2;2-7,10,13-15H,8-9,11-12H2,1H3,(H,27,31)(H,29,30);1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30);2-5,13-15H,6-11H2,1H3,(H,26,27);1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30);1-4,7,10-13H,5-6,8-9H2,(H,22,23)/t16?,17-,18+;13?,14-,15+;12?,13-,14+;13?,14-,15+;12?,13-,14+;11?,12-,13+
InChIKeyHERUNMGKVKTWAM-USOGVRFISA-N
MW2571.56 g/mol
LogP25.83
Rot. Bonds17

About 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone

2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone (PubChem CID 158457025) has the molecular formula C131H130F19N19O15 and a molecular weight of 2571.56 g/mol. Its IUPAC name is 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone.

Molecular Properties

Compound Name2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone
PubChem CID158457025
Molecular FormulaC131H130F19N19O15
Molecular Weight2571.56 g/mol
Exact Mass2569.97
IUPAC Name2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone
SMILESCC(=O)N1Cc2[nH]nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)c2C1.COc1ccc(NC(=O)N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c(C(=O)O)c1.O=C(O)c1cc(F)ccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(O)c1cnccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cn2nc(N3CCOCC3)ccc2n1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cnc[nH]1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1
InChIInChI=1S/C25H26F3N5O2.C23H23F3N2O4.C22H20F4N2O3.C22H23F3N4O2.C21H20F3N3O3.C18H18F3N3O/c26-25(27,28)20-4-2-1-3-19(20)16-11-17-13-32(14-18(17)12-16)24(34)21-15-33-22(29-21)5-6-23(30-33)31-7-9-35-10-8-31;1-32-16-6-7-20(18(10-16)21(29)30)27-22(31)28-11-14-8-13(9-15(14)12-28)17-4-2-3-5-19(17)23(24,25)26;23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26;1-12(30)28-10-17-19(11-28)26-27-20(17)21(31)29-8-14-6-13(7-15(14)9-29)16-4-2-3-5-18(16)22(23,24)25;22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29;19-18(20,21)15-4-2-1-3-14(15)11-5-12-8-24(9-13(12)6-11)17(25)16-7-22-10-23-16/h1-6,15-18H,7-14H2;2-7,10,13-15H,8-9,11-12H2,1H3,(H,27,31)(H,29,30);1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30);2-5,13-15H,6-11H2,1H3,(H,26,27);1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30);1-4,7,10-13H,5-6,8-9H2,(H,22,23)/t16?,17-,18+;13?,14-,15+;12?,13-,14+;13?,14-,15+;12?,13-,14+;11?,12-,13+
InChIKeyHERUNMGKVKTWAM-USOGVRFISA-N
XLogP25.83
TPSA412.30 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002571.56
LogP ≤ 525.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone with MolForge

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Related Compounds

4-[[(3aR,6aS)-5-[3-[4-[2-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-[4-[(3aR,6aS)-2-[(2-carboxy-4-fluorophenyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 139513746
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;ethyl 3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 157057460
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
2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoic acid;3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-ethoxy-[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]-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
CID 157231931
(3aS,6aR)-N-[3-(1-hydroxyethenyl)-4-pyridinyl]-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methyl-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]-(5-methylsulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aR,6aS)-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
CID 158071772
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(difluoromethoxy)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-(1H-indazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-(1H-indazol-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159188791
bis((3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole);2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoic acid;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrazin-2-ylmethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridazin-3-ylmethanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-2-ylmethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 159314311
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;ethyl 3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 162256925
sodium;4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid;4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide;ethyl 4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxylate;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;hydroxide
CID 161803784
3-amino-5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;2-(4-cyclopropyl-2-ethoxyphenyl)-1,7-dihydropurin-6-one;3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)benzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyrazol-1-yl]acetic acid;5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;2-[2-ethoxy-4-(1H-pyrazol-5-yl)phenyl]-1,7-dihydropurin-6-one;2-[2-ethoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1,7-dihydropurin-6-one;ethyl 2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyrazol-1-yl]acetate;methyl 5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylate;3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-propoxyphenyl]benzoic acid;2-(4-phenylphenyl)-1,7-dihydropurin-6-one
CID 163537082

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
The IUPAC name of 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone (CID 158457025) is 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone.
What is the SMILES notation for 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
The canonical SMILES for 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone is CC(=O)N1Cc2[nH]nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)c2C1.COc1ccc(NC(=O)N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c(C(=O)O)c1.O=C(O)c1cc(F)ccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(O)c1cnccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cn2nc(N3CCOCC3)ccc2n1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cnc[nH]1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.
What is the InChIKey of 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
The InChIKey is HERUNMGKVKTWAM-USOGVRFISA-N. The full InChI is InChI=1S/C25H26F3N5O2.C23H23F3N2O4.C22H20F4N2O3.C22H23F3N4O2.C21H20F3N3O3.C18H18F3N3O/c26-25(27,28)20-4-2-1-3-19(20)16-11-17-13-32(14-18(17)12-16)24(34)21-15-33-22(29-21)5-6-23(30-33)31-7-9-35-10-8-31;1-32-16-6-7-20(18(10-16)21(29)30)27-22(31)28-11-14-8-13(9-15(14)12-28)17-4-2-3-5-19(17)23(24,25)26;23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26;1-12(30)28-10-17-19(11-28)26-27-20(17)21(31)29-8-14-6-13(7-15(14)9-29)16-4-2-3-5-18(16)22(23,24)25;22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29;19-18(20,21)15-4-2-1-3-14(15)11-5-12-8-24(9-13(12)6-11)17(25)16-7-22-10-23-16/h1-6,15-18H,7-14H2;2-7,10,13-15H,8-9,11-12H2,1H3,(H,27,31)(H,29,30);1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30);2-5,13-15H,6-11H2,1H3,(H,26,27);1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30);1-4,7,10-13H,5-6,8-9H2,(H,22,23)/t16?,17-,18+;13?,14-,15+;12?,13-,14+;13?,14-,15+;12?,13-,14+;11?,12-,13+.
What are the key properties of 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone?
2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone has a molecular weight of 2571.56 g/mol, XLogP of 25.83, 17 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid;2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-methoxybenzoic acid;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;1-[3-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazol-5-yl)methanone;[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone is sourced from PubChem (CID 158457025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).