N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

C145H180Cl2F10N34O15 — CID 161305402

IUPACN-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)c(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(F)c(N5CCCC5)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5C6CCC5COC6)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CC6CCC(C5)O6)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)c(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cccc(Cl)c4C)CC3C2)c1
InChIInChI=1S/2C27H33F3N6O3.C25H34N6O3.C24H31FN6O2.C21H23ClF3N5O2.C21H26ClN5O2/c1-17(37)32(2)22-8-31-36(14-22)26(38)35-12-19-10-33(11-20(19)13-35)9-18-3-4-21(7-25(18)27(28,29)30)34-15-23-5-6-24(16-34)39-23;1-17(37)32(2)24-8-31-35(14-24)26(38)34-12-19-10-33(11-20(19)13-34)9-18-3-4-21(7-25(18)27(28,29)30)36-22-5-6-23(36)16-39-15-22;1-18-10-20(4-5-24(18)29-6-8-34-9-7-29)12-28-13-21-15-30(16-22(21)14-28)25(33)31-17-23(11-26-31)27(3)19(2)32;1-17(32)27(2)21-10-26-31(16-21)24(33)30-14-19-12-28(13-20(19)15-30)11-18-5-6-22(25)23(9-18)29-7-3-4-8-29;1-13(31)27(2)17-6-26-30(12-17)20(32)29-10-15-8-28(9-16(15)11-29)7-14-3-4-19(22)18(5-14)21(23,24)25;1-14-16(5-4-6-20(14)22)8-25-9-17-11-26(12-18(17)10-25)21(29)27-13-19(7-23-27)24(3)15(2)28/h3-4,7-8,14,19-20,23-24H,5-6,9-13,15-16H2,1-2H3;3-4,7-8,14,19-20,22-23H,5-6,9-13,15-16H2,1-2H3;4-5,10-11,17,21-22H,6-9,12-16H2,1-3H3;5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3;3-6,12,15-16H,7-11H2,1-2H3;4-7,13,17-18H,8-12H2,1-3H3
InChIKeyVIEGVJNRMRORRO-UHFFFAOYSA-N
MW2900.14 g/mol
LogP17.68
Rot. Bonds22

About N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 161305402) has the molecular formula C145H180Cl2F10N34O15 and a molecular weight of 2900.14 g/mol. Its IUPAC name is N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
PubChem CID161305402
Molecular FormulaC145H180Cl2F10N34O15
Molecular Weight2900.14 g/mol
Exact Mass2897.36
IUPAC NameN-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)c(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(F)c(N5CCCC5)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5C6CCC5COC6)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CC6CCC(C5)O6)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)c(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cccc(Cl)c4C)CC3C2)c1
InChIInChI=1S/2C27H33F3N6O3.C25H34N6O3.C24H31FN6O2.C21H23ClF3N5O2.C21H26ClN5O2/c1-17(37)32(2)22-8-31-36(14-22)26(38)35-12-19-10-33(11-20(19)13-35)9-18-3-4-21(7-25(18)27(28,29)30)34-15-23-5-6-24(16-34)39-23;1-17(37)32(2)24-8-31-35(14-24)26(38)34-12-19-10-33(11-20(19)13-34)9-18-3-4-21(7-25(18)27(28,29)30)36-22-5-6-23(36)16-39-15-22;1-18-10-20(4-5-24(18)29-6-8-34-9-7-29)12-28-13-21-15-30(16-22(21)14-28)25(33)31-17-23(11-26-31)27(3)19(2)32;1-17(32)27(2)21-10-26-31(16-21)24(33)30-14-19-12-28(13-20(19)15-30)11-18-5-6-22(25)23(9-18)29-7-3-4-8-29;1-13(31)27(2)17-6-26-30(12-17)20(32)29-10-15-8-28(9-16(15)11-29)7-14-3-4-19(22)18(5-14)21(23,24)25;1-14-16(5-4-6-20(14)22)8-25-9-17-11-26(12-18(17)10-25)21(29)27-13-19(7-23-27)24(3)15(2)28/h3-4,7-8,14,19-20,23-24H,5-6,9-13,15-16H2,1-2H3;3-4,7-8,14,19-20,22-23H,5-6,9-13,15-16H2,1-2H3;4-5,10-11,17,21-22H,6-9,12-16H2,1-3H3;5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3;3-6,12,15-16H,7-11H2,1-2H3;4-7,13,17-18H,8-12H2,1-3H3
InChIKeyVIEGVJNRMRORRO-UHFFFAOYSA-N
XLogP17.68
TPSA410.73 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002900.14
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (CID 161305402) is N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)c(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(F)c(N5CCCC5)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5C6CCC5COC6)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CC6CCC(C5)O6)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)c(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cccc(Cl)c4C)CC3C2)c1.
What is the InChIKey of N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is VIEGVJNRMRORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H33F3N6O3.C25H34N6O3.C24H31FN6O2.C21H23ClF3N5O2.C21H26ClN5O2/c1-17(37)32(2)22-8-31-36(14-22)26(38)35-12-19-10-33(11-20(19)13-35)9-18-3-4-21(7-25(18)27(28,29)30)34-15-23-5-6-24(16-34)39-23;1-17(37)32(2)24-8-31-35(14-24)26(38)34-12-19-10-33(11-20(19)13-34)9-18-3-4-21(7-25(18)27(28,29)30)36-22-5-6-23(36)16-39-15-22;1-18-10-20(4-5-24(18)29-6-8-34-9-7-29)12-28-13-21-15-30(16-22(21)14-28)25(33)31-17-23(11-26-31)27(3)19(2)32;1-17(32)27(2)21-10-26-31(16-21)24(33)30-14-19-12-28(13-20(19)15-30)11-18-5-6-22(25)23(9-18)29-7-3-4-8-29;1-13(31)27(2)17-6-26-30(12-17)20(32)29-10-15-8-28(9-16(15)11-29)7-14-3-4-19(22)18(5-14)21(23,24)25;1-14-16(5-4-6-20(14)22)8-25-9-17-11-26(12-18(17)10-25)21(29)27-13-19(7-23-27)24(3)15(2)28/h3-4,7-8,14,19-20,23-24H,5-6,9-13,15-16H2,1-2H3;3-4,7-8,14,19-20,22-23H,5-6,9-13,15-16H2,1-2H3;4-5,10-11,17,21-22H,6-9,12-16H2,1-3H3;5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3;3-6,12,15-16H,7-11H2,1-2H3;4-7,13,17-18H,8-12H2,1-3H3.
What are the key properties of N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 2900.14 g/mol, XLogP of 17.68, 22 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-chloro-2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 161305402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).