2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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

C138H176F2N16O25S2 — CID 163574515

IUPAC2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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
SMILESCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CC3(CC3)CC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(C(C)(F)F)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(NC)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c([nH]1)CCCS2(=O)=O.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c([nH]1)CCS2(=O)=O
InChIInChI=1S/C30H37N3O5.C29H35F2N3O4.C28H36N4O4.C26H35N3O6S.C25H33N3O6S/c1-3-24(34)22(12-17-6-4-8-25(17)35)32-28(36)27-20-15-30(10-11-30)14-18(20)16-33(27)29(37)23-13-19-21(31-23)7-5-9-26(19)38-2;1-3-24(35)22(13-16-7-5-12-25(16)36)33-27(37)26-18-9-4-8-17(18)15-34(26)28(38)23-14-19-20(29(2,30)31)10-6-11-21(19)32-23;1-3-24(33)22(13-16-7-5-12-25(16)34)31-27(35)26-18-9-4-8-17(18)15-32(26)28(36)23-14-19-20(29-2)10-6-11-21(19)30-23;1-2-21(30)19(12-15-6-4-10-22(15)31)28-25(32)24-17-8-3-7-16(17)14-29(24)26(33)20-13-23-18(27-20)9-5-11-36(23,34)35;1-2-20(29)18(11-14-5-4-8-21(14)30)27-24(31)23-16-7-3-6-15(16)13-28(23)25(32)19-12-22-17(26-19)9-10-35(22,33)34/h5,7,9,13,17-18,20,22,27,31H,3-4,6,8,10-12,14-16H2,1-2H3,(H,32,36);6,10-11,14,16-18,22,26,32H,3-5,7-9,12-13,15H2,1-2H3,(H,33,37);6,10-11,14,16-18,22,26,29-30H,3-5,7-9,12-13,15H2,1-2H3,(H,31,35);13,15-17,19,24,27H,2-12,14H2,1H3,(H,28,32);12,14-16,18,23,26H,2-11,13H2,1H3,(H,27,31)
InChIKeyGCHKINQIWGOIGS-UHFFFAOYSA-N
MW2561.14 g/mol
LogP16.45
Rot. Bonds38

About 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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

2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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 (PubChem CID 163574515) has the molecular formula C138H176F2N16O25S2 and a molecular weight of 2561.14 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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
PubChem CID163574515
Molecular FormulaC138H176F2N16O25S2
Molecular Weight2561.14 g/mol
Exact Mass2559.24
IUPAC Name2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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
SMILESCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CC3(CC3)CC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(C(C)(F)F)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(NC)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c([nH]1)CCCS2(=O)=O.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c([nH]1)CCS2(=O)=O
InChIInChI=1S/C30H37N3O5.C29H35F2N3O4.C28H36N4O4.C26H35N3O6S.C25H33N3O6S/c1-3-24(34)22(12-17-6-4-8-25(17)35)32-28(36)27-20-15-30(10-11-30)14-18(20)16-33(27)29(37)23-13-19-21(31-23)7-5-9-26(19)38-2;1-3-24(35)22(13-16-7-5-12-25(16)36)33-27(37)26-18-9-4-8-17(18)15-34(26)28(38)23-14-19-20(29(2,30)31)10-6-11-21(19)32-23;1-3-24(33)22(13-16-7-5-12-25(16)34)31-27(35)26-18-9-4-8-17(18)15-32(26)28(36)23-14-19-20(29-2)10-6-11-21(19)30-23;1-2-21(30)19(12-15-6-4-10-22(15)31)28-25(32)24-17-8-3-7-16(17)14-29(24)26(33)20-13-23-18(27-20)9-5-11-36(23,34)35;1-2-20(29)18(11-14-5-4-8-21(14)30)27-24(31)23-16-7-3-6-15(16)13-28(23)25(32)19-12-22-17(26-19)9-10-35(22,33)34/h5,7,9,13,17-18,20,22,27,31H,3-4,6,8,10-12,14-16H2,1-2H3,(H,32,36);6,10-11,14,16-18,22,26,32H,3-5,7-9,12-13,15H2,1-2H3,(H,33,37);6,10-11,14,16-18,22,26,29-30H,3-5,7-9,12-13,15H2,1-2H3,(H,31,35);13,15-17,19,24,27H,2-12,14H2,1H3,(H,28,32);12,14-16,18,23,26H,2-11,13H2,1H3,(H,27,31)
InChIKeyGCHKINQIWGOIGS-UHFFFAOYSA-N
XLogP16.45
TPSA586.24 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002561.14
LogP ≤ 516.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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 163574515) is 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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 is CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CC3(CC3)CC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(C(C)(F)F)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(NC)cccc2[nH]1.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c([nH]1)CCCS2(=O)=O.CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c([nH]1)CCS2(=O)=O.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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?
The InChIKey is GCHKINQIWGOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5.C29H35F2N3O4.C28H36N4O4.C26H35N3O6S.C25H33N3O6S/c1-3-24(34)22(12-17-6-4-8-25(17)35)32-28(36)27-20-15-30(10-11-30)14-18(20)16-33(27)29(37)23-13-19-21(31-23)7-5-9-26(19)38-2;1-3-24(35)22(13-16-7-5-12-25(16)36)33-27(37)26-18-9-4-8-17(18)15-34(26)28(38)23-14-19-20(29(2,30)31)10-6-11-21(19)32-23;1-3-24(33)22(13-16-7-5-12-25(16)34)31-27(35)26-18-9-4-8-17(18)15-32(26)28(36)23-14-19-20(29-2)10-6-11-21(19)30-23;1-2-21(30)19(12-15-6-4-10-22(15)31)28-25(32)24-17-8-3-7-16(17)14-29(24)26(33)20-13-23-18(27-20)9-5-11-36(23,34)35;1-2-20(29)18(11-14-5-4-8-21(14)30)27-24(31)23-16-7-3-6-15(16)13-28(23)25(32)19-12-22-17(26-19)9-10-35(22,33)34/h5,7,9,13,17-18,20,22,27,31H,3-4,6,8,10-12,14-16H2,1-2H3,(H,32,36);6,10-11,14,16-18,22,26,32H,3-5,7-9,12-13,15H2,1-2H3,(H,33,37);6,10-11,14,16-18,22,26,29-30H,3-5,7-9,12-13,15H2,1-2H3,(H,31,35);13,15-17,19,24,27H,2-12,14H2,1H3,(H,28,32);12,14-16,18,23,26H,2-11,13H2,1H3,(H,27,31).
What are the key properties of 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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?
2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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 has a molecular weight of 2561.14 g/mol, XLogP of 16.45, 38 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-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;2-(1,1-dioxo-3,4-dihydro-2H-thieno[3,2-b]pyrrole-5-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl)-N-[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-(2-oxocyclopentyl)pentan-2-yl]spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide;2-[4-(methylamino)-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 is sourced from PubChem (CID 163574515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).