[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone

C163H193Cl7F6N36O17 — CID 157100311

IUPAC[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone
SMILESCC(=O)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)CC3C2)c1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(Cl)c4)CC3C2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4ccccc4Cl)CC3C2)c1)N1CCCCC1
InChIInChI=1S/C25H30Cl2N6O2.C24H28F3N5O3.3C23H28ClN5O2.C23H26F3N5O3.C22H25Cl2N5O3/c26-21-1-4-23(27)17(9-21)11-29-12-19-14-32(15-20(19)13-29)25(35)33-16-18(10-28-33)24(34)31-7-5-30(6-8-31)22-2-3-22;1-16(33)18-9-28-32(15-18)23(34)31-13-19-11-29(12-20(19)14-31)10-17-2-3-21(8-22(17)24(25,26)27)30-4-6-35-7-5-30;24-21-7-3-2-6-17(21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-8-4-1-5-9-27;24-21-6-4-17(5-7-21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-8-2-1-3-9-27;24-21-6-4-5-17(9-21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-7-2-1-3-8-27;24-23(25,26)20-3-1-2-16(8-20)10-28-11-18-13-30(14-19(18)12-28)22(33)31-15-17(9-27-31)21(32)29-4-6-34-7-5-29;23-19-1-2-20(24)15(7-19)9-26-10-17-12-28(13-18(17)11-26)22(31)29-14-16(8-25-29)21(30)27-3-5-32-6-4-27/h1,4,9-10,16,19-20,22H,2-3,5-8,11-15H2;2-3,8-9,15,19-20H,4-7,10-14H2,1H3;2-3,6-7,10,16,19-20H,1,4-5,8-9,11-15H2;4-7,10,16,19-20H,1-3,8-9,11-15H2;4-6,9-10,16,19-20H,1-3,7-8,11-15H2;1-3,8-9,15,18-19H,4-7,10-14H2;1-2,7-8,14,17-18H,3-6,9-13H2
InChIKeyAFRPGTWQPUOVPN-UHFFFAOYSA-N
MW3290.73 g/mol
LogP20.80
Rot. Bonds23

About [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone

[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone (PubChem CID 157100311) has the molecular formula C163H193Cl7F6N36O17 and a molecular weight of 3290.73 g/mol. Its IUPAC name is [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone
PubChem CID157100311
Molecular FormulaC163H193Cl7F6N36O17
Molecular Weight3290.73 g/mol
Exact Mass3285.31
IUPAC Name[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone
SMILESCC(=O)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)CC3C2)c1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(Cl)c4)CC3C2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4ccccc4Cl)CC3C2)c1)N1CCCCC1
InChIInChI=1S/C25H30Cl2N6O2.C24H28F3N5O3.3C23H28ClN5O2.C23H26F3N5O3.C22H25Cl2N5O3/c26-21-1-4-23(27)17(9-21)11-29-12-19-14-32(15-20(19)13-29)25(35)33-16-18(10-28-33)24(34)31-7-5-30(6-8-31)22-2-3-22;1-16(33)18-9-28-32(15-18)23(34)31-13-19-11-29(12-20(19)14-31)10-17-2-3-21(8-22(17)24(25,26)27)30-4-6-35-7-5-30;24-21-7-3-2-6-17(21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-8-4-1-5-9-27;24-21-6-4-17(5-7-21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-8-2-1-3-9-27;24-21-6-4-5-17(9-21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-7-2-1-3-8-27;24-23(25,26)20-3-1-2-16(8-20)10-28-11-18-13-30(14-19(18)12-28)22(33)31-15-17(9-27-31)21(32)29-4-6-34-7-5-29;23-19-1-2-20(24)15(7-19)9-26-10-17-12-28(13-18(17)11-26)22(31)29-14-16(8-25-29)21(30)27-3-5-32-6-4-27/h1,4,9-10,16,19-20,22H,2-3,5-8,11-15H2;2-3,8-9,15,19-20H,4-7,10-14H2,1H3;2-3,6-7,10,16,19-20H,1,4-5,8-9,11-15H2;4-7,10,16,19-20H,1-3,8-9,11-15H2;4-6,9-10,16,19-20H,1-3,7-8,11-15H2;1-3,8-9,15,18-19H,4-7,10-14H2;1-2,7-8,14,17-18H,3-6,9-13H2
InChIKeyAFRPGTWQPUOVPN-UHFFFAOYSA-N
XLogP20.80
TPSA462.69 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003290.73
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone?
The IUPAC name of [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone (CID 157100311) is [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone.
What is the SMILES notation for [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone?
The canonical SMILES for [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone is CC(=O)c1cnn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)CC3C2)c1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cccc(Cl)c4)CC3C2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CC3CN(Cc4ccccc4Cl)CC3C2)c1)N1CCCCC1.
What is the InChIKey of [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone?
The InChIKey is AFRPGTWQPUOVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N6O2.C24H28F3N5O3.3C23H28ClN5O2.C23H26F3N5O3.C22H25Cl2N5O3/c26-21-1-4-23(27)17(9-21)11-29-12-19-14-32(15-20(19)13-29)25(35)33-16-18(10-28-33)24(34)31-7-5-30(6-8-31)22-2-3-22;1-16(33)18-9-28-32(15-18)23(34)31-13-19-11-29(12-20(19)14-31)10-17-2-3-21(8-22(17)24(25,26)27)30-4-6-35-7-5-30;24-21-7-3-2-6-17(21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-8-4-1-5-9-27;24-21-6-4-17(5-7-21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-8-2-1-3-9-27;24-21-6-4-5-17(9-21)11-26-12-19-14-28(15-20(19)13-26)23(31)29-16-18(10-25-29)22(30)27-7-2-1-3-8-27;24-23(25,26)20-3-1-2-16(8-20)10-28-11-18-13-30(14-19(18)12-28)22(33)31-15-17(9-27-31)21(32)29-4-6-34-7-5-29;23-19-1-2-20(24)15(7-19)9-26-10-17-12-28(13-18(17)11-26)22(31)29-14-16(8-25-29)21(30)27-3-5-32-6-4-27/h1,4,9-10,16,19-20,22H,2-3,5-8,11-15H2;2-3,8-9,15,19-20H,4-7,10-14H2,1H3;2-3,6-7,10,16,19-20H,1,4-5,8-9,11-15H2;4-7,10,16,19-20H,1-3,8-9,11-15H2;4-6,9-10,16,19-20H,1-3,7-8,11-15H2;1-3,8-9,15,18-19H,4-7,10-14H2;1-2,7-8,14,17-18H,3-6,9-13H2.
What are the key properties of [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone?
[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone has a molecular weight of 3290.73 g/mol, XLogP of 20.80, 23 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(3-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone;[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]ethanone;morpholin-4-yl-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 157100311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).