[(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C116H151Cl2F12N27O10S5 — CID 158568297

About [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

[(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 158568297) has the molecular formula C116H151Cl2F12N27O10S5 and a molecular weight of 2542.88 g/mol. Its IUPAC name is [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

• Compound Name: [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
• PubChem CID: 158568297
• Molecular Formula: C116H151Cl2F12N27O10S5
• Molecular Weight: 2542.88 g/mol
• Exact Mass: 2539.99
• IUPAC Name: [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
• SMILES: C=S(C)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C)C3)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCCC5)cc4C)C3)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C(F)(F)F)ccc4C(F)(F)F)C[C@H]3C2)c1
• InChI: InChI=1S/C26H38N6O2S.C24H31F3N6O2S.C23H27F6N5O2S.C22H30ClN5O2S.C21H25ClF3N5O2S/c1-21-16-24(30-11-4-5-12-30)7-6-22(21)18-29-13-8-26(20-29)9-14-31(15-10-26)25(33)32-19-23(17-27-32)28-35(2,3)34;1-36(2,35)29-20-10-28-33(16-20)23(34)32-14-18-12-30(13-19(18)15-32)11-17-5-6-21(31-7-3-4-8-31)9-22(17)24(25,26)27;1-32(10-16-6-17(22(24,25)26)4-5-20(16)23(27,28)29)19-7-14-11-33(12-15(14)8-19)21(35)34-13-18(9-30-34)31-37(2,3)36;1-17-4-5-19(23)12-18(17)14-26-9-6-22(16-26)7-10-27(11-8-22)21(29)28-15-20(13-24-28)25-31(2,3)30;1-33(2,32)27-17-10-26-30(12-17)19(31)29-7-5-20(6-8-29)13-28(14-20)11-15-9-16(22)3-4-18(15)21(23,24)25/h6-7,16-17,19H,2,4-5,8-15,18,20H2,1,3H3,(H,28,34);5-6,9-10,16,18-19H,1,3-4,7-8,11-15H2,2H3,(H,29,35);4-6,9,13-15,19H,2,7-8,10-12H2,1,3H3,(H,31,36);4-5,12-13,15H,2,6-11,14,16H2,1,3H3,(H,25,30);3-4,9-10,12H,1,5-8,11,13-14H2,2H3,(H,27,32)/t;;14-,15+,19?,37?
• InChIKey: HRTJTYNVJHTOPO-GXYLALJPSA-N
• XLogP: 18.30
• TPSA: 358.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2542.88
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?

The IUPAC name of [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 158568297) is [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

What is the SMILES notation for [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?

The canonical SMILES for [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is C=S(C)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C)C3)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCCC5)cc4C)C3)CC2)c1.C=S(C)(=O)Nc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C(F)(F)F)ccc4C(F)(F)F)C[C@H]3C2)c1.

What is the InChIKey of [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?

The InChIKey is HRTJTYNVJHTOPO-GXYLALJPSA-N. The full InChI is InChI=1S/C26H38N6O2S.C24H31F3N6O2S.C23H27F6N5O2S.C22H30ClN5O2S.C21H25ClF3N5O2S/c1-21-16-24(30-11-4-5-12-30)7-6-22(21)18-29-13-8-26(20-29)9-14-31(15-10-26)25(33)32-19-23(17-27-32)28-35(2,3)34;1-36(2,35)29-20-10-28-33(16-20)23(34)32-14-18-12-30(13-19(18)15-32)11-17-5-6-21(31-7-3-4-8-31)9-22(17)24(25,26)27;1-32(10-16-6-17(22(24,25)26)4-5-20(16)23(27,28)29)19-7-14-11-33(12-15(14)8-19)21(35)34-13-18(9-30-34)31-37(2,3)36;1-17-4-5-19(23)12-18(17)14-26-9-6-22(16-26)7-10-27(11-8-22)21(29)28-15-20(13-24-28)25-31(2,3)30;1-33(2,32)27-17-10-26-30(12-17)19(31)29-7-5-20(6-8-29)13-28(14-20)11-15-9-16(22)3-4-18(15)21(23,24)25/h6-7,16-17,19H,2,4-5,8-15,18,20H2,1,3H3,(H,28,34);5-6,9-10,16,18-19H,1,3-4,7-8,11-15H2,2H3,(H,29,35);4-6,9,13-15,19H,2,7-8,10-12H2,1,3H3,(H,31,36);4-5,12-13,15H,2,6-11,14,16H2,1,3H3,(H,25,30);3-4,9-10,12H,1,5-8,11,13-14H2,2H3,(H,27,32)/t;;14-,15+,19?,37?;;.

What are the key properties of [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?

[(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 2542.88 g/mol, XLogP of 18.30, 23 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,6aS)-5-[[2,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 158568297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).