2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C143H174Cl3N19O24 — CID 163434604

IUPAC2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1C(=O)NC2CC21)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1C(=O)NC2CCC21)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CC2(CC2)NC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CCC(=O)C(CC1CC2(CC2)NC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cc(Cl)cc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)C(C)C)cc12
InChIInChI=1S/C29H35ClN4O5.C29H36N4O5.C29H37N3O5.C28H32Cl2N4O4.C28H34N4O5/c1-3-23(35)21(9-16-13-29(7-8-29)33-26(16)36)32-27(37)25-18-6-4-5-15(18)14-34(25)28(38)22-12-19-20(31-22)10-17(30)11-24(19)39-2;1-3-24(34)22(12-18-17-10-11-21(17)31-27(18)35)32-28(36)26-16-7-4-6-15(16)14-33(26)29(37)23-13-19-20(30-23)8-5-9-25(19)38-2;1-16(2)27(34)22(13-17-7-5-11-24(17)33)31-28(35)26-19-9-4-8-18(19)15-32(26)29(36)23-14-20-21(30-23)10-6-12-25(20)37-3;1-2-23(35)21(8-15-12-28(6-7-28)33-25(15)36)32-26(37)24-17-5-3-4-14(17)13-34(24)27(38)22-11-18-19(30)9-16(29)10-20(18)31-22;1-3-23(33)21(11-17-16-10-20(16)30-26(17)34)31-27(35)25-15-7-4-6-14(15)13-32(25)28(36)22-12-18-19(29-22)8-5-9-24(18)37-2/h10-12,15-16,18,21,25,31H,3-9,13-14H2,1-2H3,(H,32,37)(H,33,36);5,8-9,13,15-18,21-22,26,30H,3-4,6-7,10-12,14H2,1-2H3,(H,31,35)(H,32,36);6,10,12,14,16-19,22,26,30H,4-5,7-9,11,13,15H2,1-3H3,(H,31,35);9-11,14-15,17,21,24,31H,2-8,12-13H2,1H3,(H,32,37)(H,33,36);5,8-9,12,14-17,20-21,25,29H,3-4,6-7,10-11,13H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyATJOAMAVONJYIL-UHFFFAOYSA-N
MW2649.43 g/mol
LogP16.92
Rot. Bonds39

About 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163434604) has the molecular formula C143H174Cl3N19O24 and a molecular weight of 2649.43 g/mol. Its IUPAC name is 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID163434604
Molecular FormulaC143H174Cl3N19O24
Molecular Weight2649.43 g/mol
Exact Mass2646.20
IUPAC Name2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1C(=O)NC2CC21)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1C(=O)NC2CCC21)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CC2(CC2)NC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CCC(=O)C(CC1CC2(CC2)NC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cc(Cl)cc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)C(C)C)cc12
InChIInChI=1S/C29H35ClN4O5.C29H36N4O5.C29H37N3O5.C28H32Cl2N4O4.C28H34N4O5/c1-3-23(35)21(9-16-13-29(7-8-29)33-26(16)36)32-27(37)25-18-6-4-5-15(18)14-34(25)28(38)22-12-19-20(31-22)10-17(30)11-24(19)39-2;1-3-24(34)22(12-18-17-10-11-21(17)31-27(18)35)32-28(36)26-16-7-4-6-15(16)14-33(26)29(37)23-13-19-20(30-23)8-5-9-25(19)38-2;1-16(2)27(34)22(13-17-7-5-11-24(17)33)31-28(35)26-19-9-4-8-18(19)15-32(26)29(36)23-14-20-21(30-23)10-6-12-25(20)37-3;1-2-23(35)21(8-15-12-28(6-7-28)33-25(15)36)32-26(37)24-17-5-3-4-14(17)13-34(24)27(38)22-11-18-19(30)9-16(29)10-20(18)31-22;1-3-23(33)21(11-17-16-10-20(16)30-26(17)34)31-27(35)25-15-7-4-6-14(15)13-32(25)28(36)22-12-18-19(29-22)8-5-9-24(18)37-2/h10-12,15-16,18,21,25,31H,3-9,13-14H2,1-2H3,(H,32,37)(H,33,36);5,8-9,13,15-18,21-22,26,30H,3-4,6-7,10-12,14H2,1-2H3,(H,31,35)(H,32,36);6,10,12,14,16-19,22,26,30H,4-5,7-9,11,13,15H2,1-3H3,(H,31,35);9-11,14-15,17,21,24,31H,2-8,12-13H2,1H3,(H,32,37)(H,33,36);5,8-9,12,14-17,20-21,25,29H,3-4,6-7,10-11,13H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyATJOAMAVONJYIL-UHFFFAOYSA-N
XLogP16.92
TPSA581.74 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.43
LogP ≤ 516.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1R,4R,5R)-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163916208
(3S,3aS,6aR)-2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 162695754
(1S,3aR,7aS)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
CID 163596197
2-(4,6-dichloro-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
CID 163957853
2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide
CID 163574520
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(6S)-7-oxospiro[2.5]octan-6-yl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163562758
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1S,5R)-5-methyl-2-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163839407
(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163497995
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163987718
[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxocyclopentyl)butoxy]-methylphosphinic acid
CID 163923389
(3S,3aS,6aR)-N-[(2S)-4-butoxy-1-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 162695557
(3S,3aS,6aR)-N-[(2S)-4-hydroxy-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163456766

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163434604) is 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1C(=O)NC2CC21)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1C(=O)NC2CCC21)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CC2(CC2)NC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CCC(=O)C(CC1CC2(CC2)NC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cc(Cl)cc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)C(C)C)cc12.
What is the InChIKey of 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is ATJOAMAVONJYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O5.C29H36N4O5.C29H37N3O5.C28H32Cl2N4O4.C28H34N4O5/c1-3-23(35)21(9-16-13-29(7-8-29)33-26(16)36)32-27(37)25-18-6-4-5-15(18)14-34(25)28(38)22-12-19-20(31-22)10-17(30)11-24(19)39-2;1-3-24(34)22(12-18-17-10-11-21(17)31-27(18)35)32-28(36)26-16-7-4-6-15(16)14-33(26)29(37)23-13-19-20(30-23)8-5-9-25(19)38-2;1-16(2)27(34)22(13-17-7-5-11-24(17)33)31-28(35)26-19-9-4-8-18(19)15-32(26)29(36)23-14-20-21(30-23)10-6-12-25(20)37-3;1-2-23(35)21(8-15-12-28(6-7-28)33-25(15)36)32-26(37)24-17-5-3-4-14(17)13-34(24)27(38)22-11-18-19(30)9-16(29)10-20(18)31-22;1-3-23(33)21(11-17-16-10-20(16)30-26(17)34)31-27(35)25-15-7-4-6-14(15)13-32(25)28(36)22-12-18-19(29-22)8-5-9-24(18)37-2/h10-12,15-16,18,21,25,31H,3-9,13-14H2,1-2H3,(H,32,37)(H,33,36);5,8-9,13,15-18,21-22,26,30H,3-4,6-7,10-12,14H2,1-2H3,(H,31,35)(H,32,36);6,10,12,14,16-19,22,26,30H,4-5,7-9,11,13,15H2,1-3H3,(H,31,35);9-11,14-15,17,21,24,31H,2-8,12-13H2,1H3,(H,32,37)(H,33,36);5,8-9,12,14-17,20-21,25,29H,3-4,6-7,10-11,13H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 2649.43 g/mol, XLogP of 16.92, 39 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163434604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).