[(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C162H198ClF4N35O11 — CID 161216411

IUPAC[(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCOc1ccccc1CN1CC2CN(C(=O)n3cc(C)cn3)CC2C1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4C)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4Cl)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4F)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4N4CCCC4)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4N4CCOCC4)CC3C2)c1.Cc1cnn(C(=O)N2C[C@@H]3CN(N(C)Cc4ccc(Oc5ccccc5)cc4)C[C@@H]3C2)c1
InChIInChI=1S/C25H29N5O2.C22H29N5O2.C22H29N5O.C19H21F3N4O.C19H24N4O2.C19H24N4O.C18H21ClN4O.C18H21FN4O/c1-19-12-26-30(13-19)25(31)28-15-21-17-29(18-22(21)16-28)27(2)14-20-8-10-24(11-9-20)32-23-6-4-3-5-7-23;1-17-10-23-27(11-17)22(28)26-15-19-13-24(14-20(19)16-26)12-18-4-2-3-5-21(18)25-6-8-29-9-7-25;1-17-10-23-27(11-17)22(28)26-15-19-13-24(14-20(19)16-26)12-18-6-2-3-7-21(18)25-8-4-5-9-25;1-13-6-23-26(7-13)18(27)25-11-15-9-24(10-16(15)12-25)8-14-4-2-3-5-17(14)19(20,21)22;1-14-7-20-23(8-14)19(24)22-12-16-10-21(11-17(16)13-22)9-15-5-3-4-6-18(15)25-2;1-14-7-20-23(8-14)19(24)22-12-17-10-21(11-18(17)13-22)9-16-6-4-3-5-15(16)2;2*1-13-6-20-23(7-13)18(24)22-11-15-9-21(10-16(15)12-22)8-14-4-2-3-5-17(14)19/h3-13,21-22H,14-18H2,1-2H3;2-5,10-11,19-20H,6-9,12-16H2,1H3;2-3,6-7,10-11,19-20H,4-5,8-9,12-16H2,1H3;2-7,15-16H,8-12H2,1H3;3-8,16-17H,9-13H2,1-2H3;3-8,17-18H,9-13H2,1-2H3;2*2-7,15-16H,8-12H2,1H3/t21-,22+;;;;;;;
InChIKeyUWXTUEXHIDZYGB-CQTKXRHOSA-N
MW2923.04 g/mol
LogP21.99
Rot. Bonds22

About [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

[(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 161216411) has the molecular formula C162H198ClF4N35O11 and a molecular weight of 2923.04 g/mol. Its IUPAC name is [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID161216411
Molecular FormulaC162H198ClF4N35O11
Molecular Weight2923.04 g/mol
Exact Mass2920.56
IUPAC Name[(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCOc1ccccc1CN1CC2CN(C(=O)n3cc(C)cn3)CC2C1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4C)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4Cl)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4F)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4N4CCCC4)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4N4CCOCC4)CC3C2)c1.Cc1cnn(C(=O)N2C[C@@H]3CN(N(C)Cc4ccc(Oc5ccccc5)cc4)C[C@@H]3C2)c1
InChIInChI=1S/C25H29N5O2.C22H29N5O2.C22H29N5O.C19H21F3N4O.C19H24N4O2.C19H24N4O.C18H21ClN4O.C18H21FN4O/c1-19-12-26-30(13-19)25(31)28-15-21-17-29(18-22(21)16-28)27(2)14-20-8-10-24(11-9-20)32-23-6-4-3-5-7-23;1-17-10-23-27(11-17)22(28)26-15-19-13-24(14-20(19)16-26)12-18-4-2-3-5-21(18)25-6-8-29-9-7-25;1-17-10-23-27(11-17)22(28)26-15-19-13-24(14-20(19)16-26)12-18-6-2-3-7-21(18)25-8-4-5-9-25;1-13-6-23-26(7-13)18(27)25-11-15-9-24(10-16(15)12-25)8-14-4-2-3-5-17(14)19(20,21)22;1-14-7-20-23(8-14)19(24)22-12-16-10-21(11-17(16)13-22)9-15-5-3-4-6-18(15)25-2;1-14-7-20-23(8-14)19(24)22-12-17-10-21(11-18(17)13-22)9-16-6-4-3-5-15(16)2;2*1-13-6-20-23(7-13)18(24)22-11-15-9-21(10-16(15)12-22)8-14-4-2-3-5-17(14)19/h3-13,21-22H,14-18H2,1-2H3;2-5,10-11,19-20H,6-9,12-16H2,1H3;2-3,6-7,10-11,19-20H,4-5,8-9,12-16H2,1H3;2-7,15-16H,8-12H2,1H3;3-8,16-17H,9-13H2,1-2H3;3-8,17-18H,9-13H2,1-2H3;2*2-7,15-16H,8-12H2,1H3/t21-,22+;;;;;;;
InChIKeyUWXTUEXHIDZYGB-CQTKXRHOSA-N
XLogP21.99
TPSA368.37 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds22
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.04
LogP ≤ 521.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 161216411) is [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is COc1ccccc1CN1CC2CN(C(=O)n3cc(C)cn3)CC2C1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4C(F)(F)F)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4C)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4Cl)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4F)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4N4CCCC4)CC3C2)c1.Cc1cnn(C(=O)N2CC3CN(Cc4ccccc4N4CCOCC4)CC3C2)c1.Cc1cnn(C(=O)N2C[C@@H]3CN(N(C)Cc4ccc(Oc5ccccc5)cc4)C[C@@H]3C2)c1.
What is the InChIKey of [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is UWXTUEXHIDZYGB-CQTKXRHOSA-N. The full InChI is InChI=1S/C25H29N5O2.C22H29N5O2.C22H29N5O.C19H21F3N4O.C19H24N4O2.C19H24N4O.C18H21ClN4O.C18H21FN4O/c1-19-12-26-30(13-19)25(31)28-15-21-17-29(18-22(21)16-28)27(2)14-20-8-10-24(11-9-20)32-23-6-4-3-5-7-23;1-17-10-23-27(11-17)22(28)26-15-19-13-24(14-20(19)16-26)12-18-4-2-3-5-21(18)25-6-8-29-9-7-25;1-17-10-23-27(11-17)22(28)26-15-19-13-24(14-20(19)16-26)12-18-6-2-3-7-21(18)25-8-4-5-9-25;1-13-6-23-26(7-13)18(27)25-11-15-9-24(10-16(15)12-25)8-14-4-2-3-5-17(14)19(20,21)22;1-14-7-20-23(8-14)19(24)22-12-16-10-21(11-17(16)13-22)9-15-5-3-4-6-18(15)25-2;1-14-7-20-23(8-14)19(24)22-12-17-10-21(11-18(17)13-22)9-16-6-4-3-5-15(16)2;2*1-13-6-20-23(7-13)18(24)22-11-15-9-21(10-16(15)12-22)8-14-4-2-3-5-17(14)19/h3-13,21-22H,14-18H2,1-2H3;2-5,10-11,19-20H,6-9,12-16H2,1H3;2-3,6-7,10-11,19-20H,4-5,8-9,12-16H2,1H3;2-7,15-16H,8-12H2,1H3;3-8,16-17H,9-13H2,1-2H3;3-8,17-18H,9-13H2,1-2H3;2*2-7,15-16H,8-12H2,1H3/t21-,22+;;;;;;;.
What are the key properties of [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 2923.04 g/mol, XLogP of 21.99, 22 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-5-[methyl-[(4-phenoxyphenyl)methyl]amino]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(2-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[2-[(2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;(4-methylpyrazol-1-yl)-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 161216411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).