1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid

C130H126Cl4F15N29O16 — CID 163742748

IUPAC1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1nn(C(=O)N2CC3CC(OCc4ccccc4Cl)CC3C2)cc1C(F)(F)F.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)cc1C(F)(F)F.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cccc(Oc5ccc(Cl)cc5)c4)CC3C2)cc1C(F)(F)F.Cc1cn(C(=O)N2CCN(Cc3ccc(-c4cnc5ccccn45)cc3C(F)(F)F)CC2)nc1C(=O)O.Cc1cn(C(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CC2)nc1C(=O)O
InChIInChI=1S/C26H24ClF3N4O3.C25H23F3N6O3.C21H21ClF3N3O3.C20H19Cl2F3N4O2.C19H19F3N8O3.C19H20N4O2/c1-16(35)24-23(26(28,29)30)15-34(31-24)25(36)33-13-18-11-32(12-19(18)14-33)10-17-3-2-4-22(9-17)37-21-7-5-20(27)6-8-21;1-16-14-34(30-22(16)23(35)36)24(37)32-10-8-31(9-11-32)15-18-6-5-17(12-19(18)25(26,27)28)20-13-29-21-4-2-3-7-33(20)21;1-12(29)19-17(21(23,24)25)10-28(26-19)20(30)27-8-14-6-16(7-15(14)9-27)31-11-13-4-2-3-5-18(13)22;1-11(30)18-16(20(23,24)25)10-29(26-18)19(31)28-8-13-6-27(7-14(13)9-28)5-12-4-15(21)2-3-17(12)22;1-11-9-30(25-15(11)17(31)32)18(33)29-6-4-28(5-7-29)10-13-3-2-12(16-23-26-27-24-16)8-14(13)19(20,21)22;1-3-16-4-6-17(7-5-16)14-21-10-12-22(13-11-21)19(25)23-9-8-18(20-23)15(2)24/h2-9,15,18-19H,10-14H2,1H3;2-7,12-14H,8-11,15H2,1H3,(H,35,36);2-5,10,14-16H,6-9,11H2,1H3;2-4,10,13-14H,5-9H2,1H3;2-3,8-9H,4-7,10H2,1H3,(H,31,32)(H,23,24,26,27);1,4-9H,10-14H2,2H3
InChIKeyLJEUASSGYVUQEX-UHFFFAOYSA-N
MW2777.41 g/mol
LogP22.42
Rot. Bonds23

About 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid

1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid (PubChem CID 163742748) has the molecular formula C130H126Cl4F15N29O16 and a molecular weight of 2777.41 g/mol. Its IUPAC name is 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
PubChem CID163742748
Molecular FormulaC130H126Cl4F15N29O16
Molecular Weight2777.41 g/mol
Exact Mass2773.85
IUPAC Name1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1nn(C(=O)N2CC3CC(OCc4ccccc4Cl)CC3C2)cc1C(F)(F)F.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)cc1C(F)(F)F.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cccc(Oc5ccc(Cl)cc5)c4)CC3C2)cc1C(F)(F)F.Cc1cn(C(=O)N2CCN(Cc3ccc(-c4cnc5ccccn45)cc3C(F)(F)F)CC2)nc1C(=O)O.Cc1cn(C(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CC2)nc1C(=O)O
InChIInChI=1S/C26H24ClF3N4O3.C25H23F3N6O3.C21H21ClF3N3O3.C20H19Cl2F3N4O2.C19H19F3N8O3.C19H20N4O2/c1-16(35)24-23(26(28,29)30)15-34(31-24)25(36)33-13-18-11-32(12-19(18)14-33)10-17-3-2-4-22(9-17)37-21-7-5-20(27)6-8-21;1-16-14-34(30-22(16)23(35)36)24(37)32-10-8-31(9-11-32)15-18-6-5-17(12-19(18)25(26,27)28)20-13-29-21-4-2-3-7-33(20)21;1-12(29)19-17(21(23,24)25)10-28(26-19)20(30)27-8-14-6-16(7-15(14)9-27)31-11-13-4-2-3-5-18(13)22;1-11(30)18-16(20(23,24)25)10-29(26-18)19(31)28-8-13-6-27(7-14(13)9-28)5-12-4-15(21)2-3-17(12)22;1-11-9-30(25-15(11)17(31)32)18(33)29-6-4-28(5-7-29)10-13-3-2-12(16-23-26-27-24-16)8-14(13)19(20,21)22;1-3-16-4-6-17(7-5-16)14-21-10-12-22(13-11-21)19(25)23-9-8-18(20-23)15(2)24/h2-9,15,18-19H,10-14H2,1H3;2-7,12-14H,8-11,15H2,1H3,(H,35,36);2-5,10,14-16H,6-9,11H2,1H3;2-4,10,13-14H,5-9H2,1H3;2-3,8-9H,4-7,10H2,1H3,(H,31,32)(H,23,24,26,27);1,4-9H,10-14H2,2H3
InChIKeyLJEUASSGYVUQEX-UHFFFAOYSA-N
XLogP22.42
TPSA478.08 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.41
LogP ≤ 522.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid (CID 163742748) is 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid is C#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1nn(C(=O)N2CC3CC(OCc4ccccc4Cl)CC3C2)cc1C(F)(F)F.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)cc1C(F)(F)F.CC(=O)c1nn(C(=O)N2CC3CN(Cc4cccc(Oc5ccc(Cl)cc5)c4)CC3C2)cc1C(F)(F)F.Cc1cn(C(=O)N2CCN(Cc3ccc(-c4cnc5ccccn45)cc3C(F)(F)F)CC2)nc1C(=O)O.Cc1cn(C(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CC2)nc1C(=O)O.
What is the InChIKey of 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
The InChIKey is LJEUASSGYVUQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4O3.C25H23F3N6O3.C21H21ClF3N3O3.C20H19Cl2F3N4O2.C19H19F3N8O3.C19H20N4O2/c1-16(35)24-23(26(28,29)30)15-34(31-24)25(36)33-13-18-11-32(12-19(18)14-33)10-17-3-2-4-22(9-17)37-21-7-5-20(27)6-8-21;1-16-14-34(30-22(16)23(35)36)24(37)32-10-8-31(9-11-32)15-18-6-5-17(12-19(18)25(26,27)28)20-13-29-21-4-2-3-7-33(20)21;1-12(29)19-17(21(23,24)25)10-28(26-19)20(30)27-8-14-6-16(7-15(14)9-27)31-11-13-4-2-3-5-18(13)22;1-11(30)18-16(20(23,24)25)10-29(26-18)19(31)28-8-13-6-27(7-14(13)9-28)5-12-4-15(21)2-3-17(12)22;1-11-9-30(25-15(11)17(31)32)18(33)29-6-4-28(5-7-29)10-13-3-2-12(16-23-26-27-24-16)8-14(13)19(20,21)22;1-3-16-4-6-17(7-5-16)14-21-10-12-22(13-11-21)19(25)23-9-8-18(20-23)15(2)24/h2-9,15,18-19H,10-14H2,1H3;2-7,12-14H,8-11,15H2,1H3,(H,35,36);2-5,10,14-16H,6-9,11H2,1H3;2-4,10,13-14H,5-9H2,1H3;2-3,8-9H,4-7,10H2,1H3,(H,31,32)(H,23,24,26,27);1,4-9H,10-14H2,2H3.
What are the key properties of 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid?
1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid has a molecular weight of 2777.41 g/mol, XLogP of 22.42, 23 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazole-3-carboxylic acid;4-methyl-1-[4-[[4-(2H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 163742748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).