1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one

C144H179Cl2F6N29O16 — CID 160827903

IUPAC1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one
SMILESCC(=O)c1nn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)cc1C.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccc(C)cc4)C[C@H]3C2)n1.Cc1ccc(CN2CCN(C(=O)n3ccc(C(=O)N(C)C)n3)CC2)c(N2CCOCC2)c1
InChIInChI=1S/C26H32F3N5O3.C25H27ClN4O3.C25H30F3N5O3.C23H32N6O3.C23H30N4O2.C22H28ClN5O2/c1-2-23(35)22-5-8-34(30-22)24(36)33-10-7-25(18-33)6-9-31(17-25)16-19-3-4-20(15-21(19)26(27,28)29)32-11-13-37-14-12-32;1-17-14-30(27-24(17)19(3)31)25(32)29-12-11-28(15-18(29)2)16-20-5-4-6-23(13-20)33-22-9-7-21(26)8-10-22;1-2-23(34)22-5-6-33(29-22)24(35)32-15-18-13-30(14-19(18)16-32)12-17-3-4-20(11-21(17)25(26,27)28)31-7-9-36-10-8-31;1-18-4-5-19(21(16-18)27-12-14-32-15-13-27)17-26-8-10-28(11-9-26)23(31)29-7-6-20(24-29)22(30)25(2)3;1-4-22(28)21-9-10-27(24-21)23(29)26-14-18-11-20(12-19(18)15-26)25(3)13-17-7-5-16(2)6-8-17;1-16-5-6-18(20(13-16)26-7-3-4-8-26)14-25-9-11-27(12-10-25)22(30)28-15-19(23)21(24-28)17(2)29/h3-5,8,15H,2,6-7,9-14,16-18H2,1H3;4-10,13-14,18H,11-12,15-16H2,1-3H3;3-6,11,18-19H,2,7-10,12-16H2,1H3;4-7,16H,8-15,17H2,1-3H3;5-10,18-20H,4,11-15H2,1-3H3;5-6,13,15H,3-4,7-12,14H2,1-2H3/t;18-;;;18-,19+,20?;/m.0..../s1
InChIKeySGKPSLWRSTUTCZ-LQBGYPQSSA-N
MW2757.10 g/mol
LogP20.82
Rot. Bonds28

About 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one

1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one (PubChem CID 160827903) has the molecular formula C144H179Cl2F6N29O16 and a molecular weight of 2757.10 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one
PubChem CID160827903
Molecular FormulaC144H179Cl2F6N29O16
Molecular Weight2757.10 g/mol
Exact Mass2754.34
IUPAC Name1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one
SMILESCC(=O)c1nn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)cc1C.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccc(C)cc4)C[C@H]3C2)n1.Cc1ccc(CN2CCN(C(=O)n3ccc(C(=O)N(C)C)n3)CC2)c(N2CCOCC2)c1
InChIInChI=1S/C26H32F3N5O3.C25H27ClN4O3.C25H30F3N5O3.C23H32N6O3.C23H30N4O2.C22H28ClN5O2/c1-2-23(35)22-5-8-34(30-22)24(36)33-10-7-25(18-33)6-9-31(17-25)16-19-3-4-20(15-21(19)26(27,28)29)32-11-13-37-14-12-32;1-17-14-30(27-24(17)19(3)31)25(32)29-12-11-28(15-18(29)2)16-20-5-4-6-23(13-20)33-22-9-7-21(26)8-10-22;1-2-23(34)22-5-6-33(29-22)24(35)32-15-18-13-30(14-19(18)16-32)12-17-3-4-20(11-21(17)25(26,27)28)31-7-9-36-10-8-31;1-18-4-5-19(21(16-18)27-12-14-32-15-13-27)17-26-8-10-28(11-9-26)23(31)29-7-6-20(24-29)22(30)25(2)3;1-4-22(28)21-9-10-27(24-21)23(29)26-14-18-11-20(12-19(18)15-26)25(3)13-17-7-5-16(2)6-8-17;1-16-5-6-18(20(13-16)26-7-3-4-8-26)14-25-9-11-27(12-10-25)22(30)28-15-19(23)21(24-28)17(2)29/h3-5,8,15H,2,6-7,9-14,16-18H2,1H3;4-10,13-14,18H,11-12,15-16H2,1-3H3;3-6,11,18-19H,2,7-10,12-16H2,1H3;4-7,16H,8-15,17H2,1-3H3;5-10,18-20H,4,11-15H2,1-3H3;5-6,13,15H,3-4,7-12,14H2,1-2H3/t;18-;;;18-,19+,20?;/m.0..../s1
InChIKeySGKPSLWRSTUTCZ-LQBGYPQSSA-N
XLogP20.82
TPSA403.76 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002757.10
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one (CID 160827903) is 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one is CC(=O)c1nn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)cc1C.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C(F)(F)F)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccc(C)cc4)C[C@H]3C2)n1.Cc1ccc(CN2CCN(C(=O)n3ccc(C(=O)N(C)C)n3)CC2)c(N2CCOCC2)c1.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one?
The InChIKey is SGKPSLWRSTUTCZ-LQBGYPQSSA-N. The full InChI is InChI=1S/C26H32F3N5O3.C25H27ClN4O3.C25H30F3N5O3.C23H32N6O3.C23H30N4O2.C22H28ClN5O2/c1-2-23(35)22-5-8-34(30-22)24(36)33-10-7-25(18-33)6-9-31(17-25)16-19-3-4-20(15-21(19)26(27,28)29)32-11-13-37-14-12-32;1-17-14-30(27-24(17)19(3)31)25(32)29-12-11-28(15-18(29)2)16-20-5-4-6-23(13-20)33-22-9-7-21(26)8-10-22;1-2-23(34)22-5-6-33(29-22)24(35)32-15-18-13-30(14-19(18)16-32)12-17-3-4-20(11-21(17)25(26,27)28)31-7-9-36-10-8-31;1-18-4-5-19(21(16-18)27-12-14-32-15-13-27)17-26-8-10-28(11-9-26)23(31)29-7-6-20(24-29)22(30)25(2)3;1-4-22(28)21-9-10-27(24-21)23(29)26-14-18-11-20(12-19(18)15-26)25(3)13-17-7-5-16(2)6-8-17;1-16-5-6-18(20(13-16)26-7-3-4-8-26)14-25-9-11-27(12-10-25)22(30)28-15-19(23)21(24-28)17(2)29/h3-5,8,15H,2,6-7,9-14,16-18H2,1H3;4-10,13-14,18H,11-12,15-16H2,1-3H3;3-6,11,18-19H,2,7-10,12-16H2,1H3;4-7,16H,8-15,17H2,1-3H3;5-10,18-20H,4,11-15H2,1-3H3;5-6,13,15H,3-4,7-12,14H2,1-2H3/t;18-;;;18-,19+,20?;/m.0..../s1.
What are the key properties of 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one?
1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one has a molecular weight of 2757.10 g/mol, XLogP of 20.82, 28 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;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-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 160827903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).