1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone

C163H201Cl6F3N34O16 — CID 157395598

IUPAC1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4C(F)(F)F)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCCC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCN(C5CC5)CC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCOCC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCOCC4)cn3)C[C@@H]2C1.CNC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1
InChIInChI=1S/C27H35ClN6O2.2C24H30ClN5O3.C24H30ClN5O2.C22H25F3N4O2.C21H26ClN5O2.C21H25ClN4O2/c1-30(15-19-4-2-3-5-25(19)28)24-12-20-16-33(17-21(20)13-24)27(36)34-18-22(14-29-34)26(35)32-10-8-31(9-11-32)23-6-7-23;2*1-27(13-17-4-2-3-5-22(17)25)21-10-18-14-29(15-19(18)11-21)24(32)30-16-20(12-26-30)23(31)28-6-8-33-9-7-28;1-27(13-17-6-2-3-7-22(17)25)21-10-18-14-29(15-19(18)11-21)24(32)30-16-20(12-26-30)23(31)28-8-4-5-9-28;1-14(30)18-9-26-29(13-18)21(31)28-11-16-7-19(8-17(16)12-28)27(2)10-15-5-3-4-6-20(15)22(23,24)25;1-23-20(28)17-9-24-27(13-17)21(29)26-11-15-7-18(8-16(15)12-26)25(2)10-14-5-3-4-6-19(14)22;1-14(27)18-9-23-26(13-18)21(28)25-11-16-7-19(8-17(16)12-25)24(2)10-15-5-3-4-6-20(15)22/h2-5,14,18,20-21,23-24H,6-13,15-17H2,1H3;2*2-5,12,16,18-19,21H,6-11,13-15H2,1H3;2-3,6-7,12,16,18-19,21H,4-5,8-11,13-15H2,1H3;3-6,9,13,16-17,19H,7-8,10-12H2,1-2H3;3-6,9,13,15-16,18H,7-8,10-12H2,1-2H3,(H,23,28);3-6,9,13,16-17,19H,7-8,10-12H2,1-2H3/t20-,21+,24?;3*18-,19+,21?;16-,17+,19?;15-,16+,18?;16-,17+,19?
InChIKeyBMNPJVNHSBLDLO-RXKSSBAYSA-N
MW3162.33 g/mol
LogP22.66
Rot. Bonds29

About 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone

1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone (PubChem CID 157395598) has the molecular formula C163H201Cl6F3N34O16 and a molecular weight of 3162.33 g/mol. Its IUPAC name is 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone
PubChem CID157395598
Molecular FormulaC163H201Cl6F3N34O16
Molecular Weight3162.33 g/mol
Exact Mass3157.40
IUPAC Name1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4C(F)(F)F)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCCC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCN(C5CC5)CC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCOCC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCOCC4)cn3)C[C@@H]2C1.CNC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1
InChIInChI=1S/C27H35ClN6O2.2C24H30ClN5O3.C24H30ClN5O2.C22H25F3N4O2.C21H26ClN5O2.C21H25ClN4O2/c1-30(15-19-4-2-3-5-25(19)28)24-12-20-16-33(17-21(20)13-24)27(36)34-18-22(14-29-34)26(35)32-10-8-31(9-11-32)23-6-7-23;2*1-27(13-17-4-2-3-5-22(17)25)21-10-18-14-29(15-19(18)11-21)24(32)30-16-20(12-26-30)23(31)28-6-8-33-9-7-28;1-27(13-17-6-2-3-7-22(17)25)21-10-18-14-29(15-19(18)11-21)24(32)30-16-20(12-26-30)23(31)28-8-4-5-9-28;1-14(30)18-9-26-29(13-18)21(31)28-11-16-7-19(8-17(16)12-28)27(2)10-15-5-3-4-6-20(15)22(23,24)25;1-23-20(28)17-9-24-27(13-17)21(29)26-11-15-7-18(8-16(15)12-26)25(2)10-14-5-3-4-6-19(14)22;1-14(27)18-9-23-26(13-18)21(28)25-11-16-7-19(8-17(16)12-25)24(2)10-15-5-3-4-6-20(15)22/h2-5,14,18,20-21,23-24H,6-13,15-17H2,1H3;2*2-5,12,16,18-19,21H,6-11,13-15H2,1H3;2-3,6-7,12,16,18-19,21H,4-5,8-11,13-15H2,1H3;3-6,9,13,16-17,19H,7-8,10-12H2,1-2H3;3-6,9,13,15-16,18H,7-8,10-12H2,1-2H3,(H,23,28);3-6,9,13,16-17,19H,7-8,10-12H2,1-2H3/t20-,21+,24?;3*18-,19+,21?;16-,17+,19?;15-,16+,18?;16-,17+,19?
InChIKeyBMNPJVNHSBLDLO-RXKSSBAYSA-N
XLogP22.66
TPSA455.77 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003162.33
LogP ≤ 522.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone with MolForge

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Related Compounds

[1-[2-[(2,5-Dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-[4-[2-[3-[[5-[4-(morpholine-4-carbonyl)pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)phenyl]cyclopropyl]piperazin-1-yl]methanone
CID 145315935
CID 157100311
CID 157100311
CID 157530738
CID 157530738
CID 160488189
CID 160488189
CID 161753279
CID 161753279
[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[4-[5-chloro-2-[[5-(4-methylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]phenyl]piperazin-1-yl]ethanone;[2-[(4-chloro-2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(4-fluoro-2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 161040234
[(3aR,6aS)-5-[(2-chlorophenyl)methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;bis([(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpyrazol-1-yl)methanone);N-[(3aS,6aR)-2-(4-methylpyrazole-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-N-[(2-chlorophenyl)methyl]acetamide;N-[(3aR,6aS)-2-(4-methylpyrazole-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 161270515

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone (CID 157395598) is 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone is CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4C(F)(F)F)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCCC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCN(C5CC5)CC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCOCC4)cn3)C[C@@H]2C1.CN(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C(=O)N4CCOCC4)cn3)C[C@@H]2C1.CNC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.
What is the InChIKey of 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
The InChIKey is BMNPJVNHSBLDLO-RXKSSBAYSA-N. The full InChI is InChI=1S/C27H35ClN6O2.2C24H30ClN5O3.C24H30ClN5O2.C22H25F3N4O2.C21H26ClN5O2.C21H25ClN4O2/c1-30(15-19-4-2-3-5-25(19)28)24-12-20-16-33(17-21(20)13-24)27(36)34-18-22(14-29-34)26(35)32-10-8-31(9-11-32)23-6-7-23;2*1-27(13-17-4-2-3-5-22(17)25)21-10-18-14-29(15-19(18)11-21)24(32)30-16-20(12-26-30)23(31)28-6-8-33-9-7-28;1-27(13-17-6-2-3-7-22(17)25)21-10-18-14-29(15-19(18)11-21)24(32)30-16-20(12-26-30)23(31)28-8-4-5-9-28;1-14(30)18-9-26-29(13-18)21(31)28-11-16-7-19(8-17(16)12-28)27(2)10-15-5-3-4-6-20(15)22(23,24)25;1-23-20(28)17-9-24-27(13-17)21(29)26-11-15-7-18(8-16(15)12-26)25(2)10-14-5-3-4-6-19(14)22;1-14(27)18-9-23-26(13-18)21(28)25-11-16-7-19(8-17(16)12-25)24(2)10-15-5-3-4-6-20(15)22/h2-5,14,18,20-21,23-24H,6-13,15-17H2,1H3;2*2-5,12,16,18-19,21H,6-11,13-15H2,1H3;2-3,6-7,12,16,18-19,21H,4-5,8-11,13-15H2,1H3;3-6,9,13,16-17,19H,7-8,10-12H2,1-2H3;3-6,9,13,15-16,18H,7-8,10-12H2,1-2H3,(H,23,28);3-6,9,13,16-17,19H,7-8,10-12H2,1-2H3/t20-,21+,24?;3*18-,19+,21?;16-,17+,19?;15-,16+,18?;16-,17+,19?.
What are the key properties of 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone has a molecular weight of 3162.33 g/mol, XLogP of 22.66, 29 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylpyrazole-4-carboxamide;[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;bis([1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone);[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[1-[(3aS,6aR)-5-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 157395598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).