[(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

C147H180Cl7N29O11 — CID 161270515

IUPAC[(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
SMILESCC(=O)N(Cc1cccc(Cl)c1)C1C[C@@H]2CN(C(=O)n3cc(C)cn3)C[C@@H]2C1.CC(=O)N(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C)cn3)C[C@@H]2C1.CCC(=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.Cc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.Cc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.Cc1cnn(C(=O)N2C[C@H]3CC(NCc4ccccc4Cl)C[C@H]3C2)c1
InChIInChI=1S/C24H30ClN5O2.C22H27ClN4O2.2C21H25ClN4O2.2C20H25ClN4O.C19H23ClN4O/c1-27(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;1-3-21(28)18-10-24-27(14-18)22(29)26-12-16-8-19(9-17(16)13-26)25(2)11-15-6-4-5-7-20(15)23;1-14-9-23-26(10-14)21(28)24-12-17-7-20(8-18(17)13-24)25(15(2)27)11-16-4-3-5-19(22)6-16;1-14-9-23-26(10-14)21(28)24-11-17-7-19(8-18(17)12-24)25(15(2)27)13-16-5-3-4-6-20(16)22;2*1-14-9-22-25(10-14)20(26)24-12-16-7-18(8-17(16)13-24)23(2)11-15-5-3-4-6-19(15)21;1-13-8-22-24(10-13)19(25)23-11-15-6-17(7-16(15)12-23)21-9-14-4-2-3-5-18(14)20/h2-3,6-7,12,16,18-19,21H,4-5,8-11,13-15H2,1H3;4-7,10,14,16-17,19H,3,8-9,11-13H2,1-2H3;3-6,9-10,17-18,20H,7-8,11-13H2,1-2H3;3-6,9-10,17-19H,7-8,11-13H2,1-2H3;2*3-6,9-10,16-18H,7-8,11-13H2,1-2H3;2-5,8,10,15-17,21H,6-7,9,11-12H2,1H3/t18-,19+,21?;16-,17+,19?;17-,18+,20?;17-,18+,19?;2*16-,17+,18?;15-,16+,17?
InChIKeyVDTCIDJHKXYPEP-HLYHXHSHSA-N
MW2777.42 g/mol
LogP25.29
Rot. Bonds24

About [(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

[(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 (PubChem CID 161270515) has the molecular formula C147H180Cl7N29O11 and a molecular weight of 2777.42 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID161270515
Molecular FormulaC147H180Cl7N29O11
Molecular Weight2777.42 g/mol
Exact Mass2772.22
IUPAC Name[(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
SMILESCC(=O)N(Cc1cccc(Cl)c1)C1C[C@@H]2CN(C(=O)n3cc(C)cn3)C[C@@H]2C1.CC(=O)N(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C)cn3)C[C@@H]2C1.CCC(=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.Cc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.Cc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.Cc1cnn(C(=O)N2C[C@H]3CC(NCc4ccccc4Cl)C[C@H]3C2)c1
InChIInChI=1S/C24H30ClN5O2.C22H27ClN4O2.2C21H25ClN4O2.2C20H25ClN4O.C19H23ClN4O/c1-27(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;1-3-21(28)18-10-24-27(14-18)22(29)26-12-16-8-19(9-17(16)13-26)25(2)11-15-6-4-5-7-20(15)23;1-14-9-23-26(10-14)21(28)24-12-17-7-20(8-18(17)13-24)25(15(2)27)11-16-4-3-5-19(22)6-16;1-14-9-23-26(10-14)21(28)24-11-17-7-19(8-18(17)12-24)25(15(2)27)13-16-5-3-4-6-20(16)22;2*1-14-9-22-25(10-14)20(26)24-12-16-7-18(8-17(16)13-24)23(2)11-15-5-3-4-6-19(15)21;1-13-8-22-24(10-13)19(25)23-11-15-6-17(7-16(15)12-23)21-9-14-4-2-3-5-18(14)20/h2-3,6-7,12,16,18-19,21H,4-5,8-11,13-15H2,1H3;4-7,10,14,16-17,19H,3,8-9,11-13H2,1-2H3;3-6,9-10,17-18,20H,7-8,11-13H2,1-2H3;3-6,9-10,17-19H,7-8,11-13H2,1-2H3;2*3-6,9-10,16-18H,7-8,11-13H2,1-2H3;2-5,8,10,15-17,21H,6-7,9,11-12H2,1H3/t18-,19+,21?;16-,17+,19?;17-,18+,20?;17-,18+,19?;2*16-,17+,18?;15-,16+,17?
InChIKeyVDTCIDJHKXYPEP-HLYHXHSHSA-N
XLogP25.29
TPSA369.90 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.42
LogP ≤ 525.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(=O)N(Cc1cccc(Cl)c1)C1C[C@@H]2CN(C(=O)n3cc(C)cn3)C[C@@H]2C1.CC(=O)N(Cc1ccccc1Cl)C1C[C@@H]2CN(C(=O)n3cc(C)cn3)C[C@@H]2C1.CCC(=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.Cc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.Cc1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)c1.Cc1cnn(C(=O)N2C[C@H]3CC(NCc4ccccc4Cl)C[C@H]3C2)c1.
What is the InChIKey of [(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?
The InChIKey is VDTCIDJHKXYPEP-HLYHXHSHSA-N. The full InChI is InChI=1S/C24H30ClN5O2.C22H27ClN4O2.2C21H25ClN4O2.2C20H25ClN4O.C19H23ClN4O/c1-27(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;1-3-21(28)18-10-24-27(14-18)22(29)26-12-16-8-19(9-17(16)13-26)25(2)11-15-6-4-5-7-20(15)23;1-14-9-23-26(10-14)21(28)24-12-17-7-20(8-18(17)13-24)25(15(2)27)11-16-4-3-5-19(22)6-16;1-14-9-23-26(10-14)21(28)24-11-17-7-19(8-18(17)12-24)25(15(2)27)13-16-5-3-4-6-20(16)22;2*1-14-9-22-25(10-14)20(26)24-12-16-7-18(8-17(16)13-24)23(2)11-15-5-3-4-6-19(15)21;1-13-8-22-24(10-13)19(25)23-11-15-6-17(7-16(15)12-23)21-9-14-4-2-3-5-18(14)20/h2-3,6-7,12,16,18-19,21H,4-5,8-11,13-15H2,1H3;4-7,10,14,16-17,19H,3,8-9,11-13H2,1-2H3;3-6,9-10,17-18,20H,7-8,11-13H2,1-2H3;3-6,9-10,17-19H,7-8,11-13H2,1-2H3;2*3-6,9-10,16-18H,7-8,11-13H2,1-2H3;2-5,8,10,15-17,21H,6-7,9,11-12H2,1H3/t18-,19+,21?;16-,17+,19?;17-,18+,20?;17-,18+,19?;2*16-,17+,18?;15-,16+,17?.
What are the key properties of [(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?
[(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 has a molecular weight of 2777.42 g/mol, XLogP of 25.29, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 161270515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).