2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C148H171Cl3F3N21O28 — CID 163470204

IUPAC2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)ccc(C(F)(F)F)c2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3C=CCC3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CN3CCC(O)C3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CN3CCCCC3=O)C(=O)C(=O)NC3CC3)cc12.O=C(NC1CC1)C(=O)C(CC1CC2(CC2)CC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C31H34Cl2N4O5.C30H37N5O6.C30H34N4O6.C29H35N5O7.C28H31ClF3N3O4/c32-17-9-21(33)20-11-24(35-22(20)10-17)30(42)37-14-15-2-1-3-19(15)26(37)28(40)36-23(27(39)29(41)34-18-4-5-18)8-16-12-31(6-7-31)13-25(16)38;1-41-24-9-5-8-21-20(24)14-22(32-21)30(40)35-15-17-6-4-7-19(17)26(35)28(38)33-23(16-34-13-3-2-10-25(34)36)27(37)29(39)31-18-11-12-18;1-40-25-10-4-8-21-20(25)14-23(32-21)30(39)34-15-17-6-2-7-19(17)26(34)28(37)33-22(13-16-5-3-9-24(16)35)27(36)29(38)31-18-11-12-18;1-41-23-7-3-6-19-18(23)12-20(31-19)28(39)34-13-15-4-2-5-17(15)24(34)26(37)32-21(14-33-11-10-22(35)29(33)40)25(36)27(38)30-16-8-9-16;1-2-22(36)20(11-14-5-4-8-23(14)37)34-26(38)25-16-7-3-6-15(16)13-35(25)27(39)21-12-17-19(29)10-9-18(24(17)33-21)28(30,31)32/h9-11,15-16,18-19,23,26,35H,1-8,12-14H2,(H,34,41)(H,36,40);5,8-9,14,17-19,23,26,32H,2-4,6-7,10-13,15-16H2,1H3,(H,31,39)(H,33,38);3-5,8,10,14,16-19,22,26,32H,2,6-7,9,11-13,15H2,1H3,(H,31,38)(H,33,37);3,6-7,12,15-17,21-22,24,31,35H,2,4-5,8-11,13-14H2,1H3,(H,30,38)(H,32,37);9-10,12,14-16,20,25,33H,2-8,11,13H2,1H3,(H,34,38)
InChIKeyBVXZAYPONCMOMK-UHFFFAOYSA-N
MW2855.47 g/mol
LogP13.89
Rot. Bonds42

About 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163470204) has the molecular formula C148H171Cl3F3N21O28 and a molecular weight of 2855.47 g/mol. Its IUPAC name is 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID163470204
Molecular FormulaC148H171Cl3F3N21O28
Molecular Weight2855.47 g/mol
Exact Mass2852.16
IUPAC Name2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)ccc(C(F)(F)F)c2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3C=CCC3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CN3CCC(O)C3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CN3CCCCC3=O)C(=O)C(=O)NC3CC3)cc12.O=C(NC1CC1)C(=O)C(CC1CC2(CC2)CC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C31H34Cl2N4O5.C30H37N5O6.C30H34N4O6.C29H35N5O7.C28H31ClF3N3O4/c32-17-9-21(33)20-11-24(35-22(20)10-17)30(42)37-14-15-2-1-3-19(15)26(37)28(40)36-23(27(39)29(41)34-18-4-5-18)8-16-12-31(6-7-31)13-25(16)38;1-41-24-9-5-8-21-20(24)14-22(32-21)30(40)35-15-17-6-4-7-19(17)26(35)28(38)33-23(16-34-13-3-2-10-25(34)36)27(37)29(39)31-18-11-12-18;1-40-25-10-4-8-21-20(25)14-23(32-21)30(39)34-15-17-6-2-7-19(17)26(34)28(37)33-22(13-16-5-3-9-24(16)35)27(36)29(38)31-18-11-12-18;1-41-23-7-3-6-19-18(23)12-20(31-19)28(39)34-13-15-4-2-5-17(15)24(34)26(37)32-21(14-33-11-10-22(35)29(33)40)25(36)27(38)30-16-8-9-16;1-2-22(36)20(11-14-5-4-8-23(14)37)34-26(38)25-16-7-3-6-15(16)13-35(25)27(39)21-12-17-19(29)10-9-18(24(17)33-21)28(30,31)32/h9-11,15-16,18-19,23,26,35H,1-8,12-14H2,(H,34,41)(H,36,40);5,8-9,14,17-19,23,26,32H,2-4,6-7,10-13,15-16H2,1H3,(H,31,39)(H,33,38);3-5,8,10,14,16-19,22,26,32H,2,6-7,9,11-13,15H2,1H3,(H,31,38)(H,33,37);3,6-7,12,15-17,21-22,24,31,35H,2,4-5,8-11,13-14H2,1H3,(H,30,38)(H,32,37);9-10,12,14-16,20,25,33H,2-8,11,13H2,1H3,(H,34,38)
InChIKeyBVXZAYPONCMOMK-UHFFFAOYSA-N
XLogP13.89
TPSA667.50 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds42
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002855.47
LogP ≤ 513.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163470204) is 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)ccc(C(F)(F)F)c2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3C=CCC3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CN3CCC(O)C3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CN3CCCCC3=O)C(=O)C(=O)NC3CC3)cc12.O=C(NC1CC1)C(=O)C(CC1CC2(CC2)CC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is BVXZAYPONCMOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N4O5.C30H37N5O6.C30H34N4O6.C29H35N5O7.C28H31ClF3N3O4/c32-17-9-21(33)20-11-24(35-22(20)10-17)30(42)37-14-15-2-1-3-19(15)26(37)28(40)36-23(27(39)29(41)34-18-4-5-18)8-16-12-31(6-7-31)13-25(16)38;1-41-24-9-5-8-21-20(24)14-22(32-21)30(40)35-15-17-6-4-7-19(17)26(35)28(38)33-23(16-34-13-3-2-10-25(34)36)27(37)29(39)31-18-11-12-18;1-40-25-10-4-8-21-20(25)14-23(32-21)30(39)34-15-17-6-2-7-19(17)26(34)28(37)33-22(13-16-5-3-9-24(16)35)27(36)29(38)31-18-11-12-18;1-41-23-7-3-6-19-18(23)12-20(31-19)28(39)34-13-15-4-2-5-17(15)24(34)26(37)32-21(14-33-11-10-22(35)29(33)40)25(36)27(38)30-16-8-9-16;1-2-22(36)20(11-14-5-4-8-23(14)37)34-26(38)25-16-7-3-6-15(16)13-35(25)27(39)21-12-17-19(29)10-9-18(24(17)33-21)28(30,31)32/h9-11,15-16,18-19,23,26,35H,1-8,12-14H2,(H,34,41)(H,36,40);5,8-9,14,17-19,23,26,32H,2-4,6-7,10-13,15-16H2,1H3,(H,31,39)(H,33,38);3-5,8,10,14,16-19,22,26,32H,2,6-7,9,11-13,15H2,1H3,(H,31,38)(H,33,37);3,6-7,12,15-17,21-22,24,31,35H,2,4-5,8-11,13-14H2,1H3,(H,30,38)(H,32,37);9-10,12,14-16,20,25,33H,2-8,11,13H2,1H3,(H,34,38).
What are the key properties of 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 2855.47 g/mol, XLogP of 13.89, 42 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-7-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(5-oxocyclopent-2-en-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-(6-oxospiro[2.4]heptan-5-yl)butan-2-yl]-2-(4,6-dichloro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(cyclopropylamino)-1-(3-hydroxy-2-oxopyrrolidin-1-yl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163470204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).