N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

C137H174ClF6N33O13 — CID 160986024

IUPACN-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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(N5CCCC5)c(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)c(Cl)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cccc(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C)CC3C2)c1
InChIInChI=1S/C25H31F3N6O2.C25H34N6O2.C24H31ClN6O3.C21H24F3N5O2.2C21H27N5O2/c1-17(35)30(2)22-10-29-34(16-22)24(36)33-14-19-12-31(13-20(19)15-33)11-18-5-6-21(32-7-3-4-8-32)9-23(18)25(26,27)28;1-18-10-20(6-7-24(18)29-8-4-5-9-29)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)11-18-3-4-23(22(25)9-18)29-5-7-34-8-6-29;1-14(30)26(2)18-7-25-29(13-18)20(31)28-11-16-9-27(10-17(16)12-28)8-15-5-3-4-6-19(15)21(22,23)24;1-15-5-4-6-17(7-15)9-24-10-18-12-25(13-19(18)11-24)21(28)26-14-20(8-22-26)23(3)16(2)27;1-15-6-4-5-7-17(15)9-24-10-18-12-25(13-19(18)11-24)21(28)26-14-20(8-22-26)23(3)16(2)27/h5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3;6-7,10-11,17,21-22H,4-5,8-9,12-16H2,1-3H3;3-4,9-10,16,19-20H,5-8,11-15H2,1-2H3;3-7,13,16-17H,8-12H2,1-2H3;2*4-8,14,18-19H,9-13H2,1-3H3
InChIKeyTTZITYZDDDHVSL-UHFFFAOYSA-N
MW2640.56 g/mol
LogP16.04
Rot. Bonds21

About N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 160986024) has the molecular formula C137H174ClF6N33O13 and a molecular weight of 2640.56 g/mol. Its IUPAC name is N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
PubChem CID160986024
Molecular FormulaC137H174ClF6N33O13
Molecular Weight2640.56 g/mol
Exact Mass2638.36
IUPAC NameN-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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(N5CCCC5)c(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)c(Cl)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cccc(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C)CC3C2)c1
InChIInChI=1S/C25H31F3N6O2.C25H34N6O2.C24H31ClN6O3.C21H24F3N5O2.2C21H27N5O2/c1-17(35)30(2)22-10-29-34(16-22)24(36)33-14-19-12-31(13-20(19)15-33)11-18-5-6-21(32-7-3-4-8-32)9-23(18)25(26,27)28;1-18-10-20(6-7-24(18)29-8-4-5-9-29)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)11-18-3-4-23(22(25)9-18)29-5-7-34-8-6-29;1-14(30)26(2)18-7-25-29(13-18)20(31)28-11-16-9-27(10-17(16)12-28)8-15-5-3-4-6-19(15)21(22,23)24;1-15-5-4-6-17(7-15)9-24-10-18-12-25(13-19(18)11-24)21(28)26-14-20(8-22-26)23(3)16(2)27;1-15-6-4-5-7-17(15)9-24-10-18-12-25(13-19(18)11-24)21(28)26-14-20(8-22-26)23(3)16(2)27/h5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3;6-7,10-11,17,21-22H,4-5,8-9,12-16H2,1-3H3;3-4,9-10,16,19-20H,5-8,11-15H2,1-2H3;3-7,13,16-17H,8-12H2,1-2H3;2*4-8,14,18-19H,9-13H2,1-3H3
InChIKeyTTZITYZDDDHVSL-UHFFFAOYSA-N
XLogP16.04
TPSA389.03 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002640.56
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (CID 160986024) is N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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(N5CCCC5)c(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)c(Cl)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cccc(C)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccccc4C)CC3C2)c1.
What is the InChIKey of N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is TTZITYZDDDHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O2.C25H34N6O2.C24H31ClN6O3.C21H24F3N5O2.2C21H27N5O2/c1-17(35)30(2)22-10-29-34(16-22)24(36)33-14-19-12-31(13-20(19)15-33)11-18-5-6-21(32-7-3-4-8-32)9-23(18)25(26,27)28;1-18-10-20(6-7-24(18)29-8-4-5-9-29)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)11-18-3-4-23(22(25)9-18)29-5-7-34-8-6-29;1-14(30)26(2)18-7-25-29(13-18)20(31)28-11-16-9-27(10-17(16)12-28)8-15-5-3-4-6-19(15)21(22,23)24;1-15-5-4-6-17(7-15)9-24-10-18-12-25(13-19(18)11-24)21(28)26-14-20(8-22-26)23(3)16(2)27;1-15-6-4-5-7-17(15)9-24-10-18-12-25(13-19(18)11-24)21(28)26-14-20(8-22-26)23(3)16(2)27/h5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3;6-7,10-11,17,21-22H,4-5,8-9,12-16H2,1-3H3;3-4,9-10,16,19-20H,5-8,11-15H2,1-2H3;3-7,13,16-17H,8-12H2,1-2H3;2*4-8,14,18-19H,9-13H2,1-3H3.
What are the key properties of N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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 2640.56 g/mol, XLogP of 16.04, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-chloro-4-morpholin-4-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-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[(3-methyl-4-pyrrolidin-1-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-pyrrolidin-1-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-[[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 160986024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).