(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide

C156H179F6N17O28 — CID 163917135

IUPAC(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)c1cc3c(OC)cccc3[nH]1)C2(C)C.CCC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.COc1cccc2[nH]c(C(=O)N3C[C@H](C)C[C@H]3C(=O)N[C@@H](C[C@@H]3CCCCC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3C[C@]4(C[C@H]3C(=O)N[C@@H](CC3CCCCC3=O)C(=O)C(=O)NCc3ccccn3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3C[C@]4(C[C@H]3C(=O)N[C@@H](C[C@@H]3CCCCC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12
InChIInChI=1S/C34H37F2N3O6.C33H35F2N5O6.C33H39N3O6.C28H33F2N3O5.C28H35N3O5/c1-44-30-13-7-11-24-23(30)15-26(37-24)32(43)39-20-33(19-34(33,35)36)16-27(39)31(42)38-25(14-22-10-5-6-12-28(22)40)29(41)18-45-17-21-8-3-2-4-9-21;1-46-27-11-6-9-22-21(27)14-24(38-22)31(45)40-18-32(17-33(32,34)35)15-25(40)29(43)39-23(13-19-7-2-3-10-26(19)41)28(42)30(44)37-16-20-8-4-5-12-36-20;1-21-15-28(36(18-21)33(40)27-17-24-25(34-27)12-8-14-31(24)41-2)32(39)35-26(16-23-11-6-7-13-29(23)37)30(38)20-42-19-22-9-4-3-5-10-22;1-3-22(34)19(11-16-7-4-5-9-23(16)35)32-25(36)21-13-27(14-28(27,29)30)15-33(21)26(37)20-12-17-18(31-20)8-6-10-24(17)38-2;1-5-21(32)19(12-15-8-6-10-22(15)33)30-26(34)25-24-17(28(24,2)3)14-31(25)27(35)20-13-16-18(29-20)9-7-11-23(16)36-4/h2-4,7-9,11,13,15,22,25,27,37H,5-6,10,12,14,16-20H2,1H3,(H,38,42);4-6,8-9,11-12,14,19,23,25,38H,2-3,7,10,13,15-18H2,1H3,(H,37,44)(H,39,43);3-5,8-10,12,14,17,21,23,26,28,34H,6-7,11,13,15-16,18-20H2,1-2H3,(H,35,39);6,8,10,12,16,19,21,31H,3-5,7,9,11,13-15H2,1-2H3,(H,32,36);7,9,11,13,15,17,19,24-25,29H,5-6,8,10,12,14H2,1-4H3,(H,30,34)/t22-,25-,27-,33-;19?,23-,25-,32-;21-,23+,26+,28+;16-,19-,21-,27-;15-,17-,19-,24-,25-/m00100/s1
InChIKeyQXGCBZKECGIBPG-BRXAJRQCSA-N
MW2854.23 g/mol
LogP20.14
Rot. Bonds48

About (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide

(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 163917135) has the molecular formula C156H179F6N17O28 and a molecular weight of 2854.23 g/mol. Its IUPAC name is (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID163917135
Molecular FormulaC156H179F6N17O28
Molecular Weight2854.23 g/mol
Exact Mass2852.30
IUPAC Name(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)c1cc3c(OC)cccc3[nH]1)C2(C)C.CCC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.COc1cccc2[nH]c(C(=O)N3C[C@H](C)C[C@H]3C(=O)N[C@@H](C[C@@H]3CCCCC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3C[C@]4(C[C@H]3C(=O)N[C@@H](CC3CCCCC3=O)C(=O)C(=O)NCc3ccccn3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3C[C@]4(C[C@H]3C(=O)N[C@@H](C[C@@H]3CCCCC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12
InChIInChI=1S/C34H37F2N3O6.C33H35F2N5O6.C33H39N3O6.C28H33F2N3O5.C28H35N3O5/c1-44-30-13-7-11-24-23(30)15-26(37-24)32(43)39-20-33(19-34(33,35)36)16-27(39)31(42)38-25(14-22-10-5-6-12-28(22)40)29(41)18-45-17-21-8-3-2-4-9-21;1-46-27-11-6-9-22-21(27)14-24(38-22)31(45)40-18-32(17-33(32,34)35)15-25(40)29(43)39-23(13-19-7-2-3-10-26(19)41)28(42)30(44)37-16-20-8-4-5-12-36-20;1-21-15-28(36(18-21)33(40)27-17-24-25(34-27)12-8-14-31(24)41-2)32(39)35-26(16-23-11-6-7-13-29(23)37)30(38)20-42-19-22-9-4-3-5-10-22;1-3-22(34)19(11-16-7-4-5-9-23(16)35)32-25(36)21-13-27(14-28(27,29)30)15-33(21)26(37)20-12-17-18(31-20)8-6-10-24(17)38-2;1-5-21(32)19(12-15-8-6-10-22(15)33)30-26(34)25-24-17(28(24,2)3)14-31(25)27(35)20-13-16-18(29-20)9-7-11-23(16)36-4/h2-4,7-9,11,13,15,22,25,27,37H,5-6,10,12,14,16-20H2,1H3,(H,38,42);4-6,8-9,11-12,14,19,23,25,38H,2-3,7,10,13,15-18H2,1H3,(H,37,44)(H,39,43);3-5,8-10,12,14,17,21,23,26,28,34H,6-7,11,13,15-16,18-20H2,1-2H3,(H,35,39);6,8,10,12,16,19,21,31H,3-5,7,9,11,13-15H2,1-2H3,(H,32,36);7,9,11,13,15,17,19,24-25,29H,5-6,8,10,12,14H2,1-4H3,(H,30,34)/t22-,25-,27-,33-;19?,23-,25-,32-;21-,23+,26+,28+;16-,19-,21-,27-;15-,17-,19-,24-,25-/m00100/s1
InChIKeyQXGCBZKECGIBPG-BRXAJRQCSA-N
XLogP20.14
TPSA603.30 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds48
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002854.23
LogP ≤ 520.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] pyridine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 164616072
1-benzofuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[5-(1,1-difluoroethyl)furan-2-yl]-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3,5-dimethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-ethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;5-[1-(1H-indol-3-yl)ethenyl]-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(5-methylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 158064950
[4-(2,2-dimethylpropyl)-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[2,2,4-tri(propan-2-yl)pyrrolidin-1-yl]methanone
CID 162117395
2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695495
N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695815
2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695931
(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 162696003
(3S,6S)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 162696019
[(3S)-3-[[(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butoxy]-methylphosphinic acid;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]hexan-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-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 163411053
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,6S)-2,2-difluoro-N-[(2S)-4-hydroxy-3-oxo-1-[(1S)-2-oxocyclohexyl]butan-2-yl]-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 163435478
(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide;bis((2R)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-[(2,2-difluorocyclopropyl)methyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide)
CID 163469145
CID 163521805
CID 163521805

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide (CID 163917135) is (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide is CCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)c1cc3c(OC)cccc3[nH]1)C2(C)C.CCC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.COc1cccc2[nH]c(C(=O)N3C[C@H](C)C[C@H]3C(=O)N[C@@H](C[C@@H]3CCCCC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3C[C@]4(C[C@H]3C(=O)N[C@@H](CC3CCCCC3=O)C(=O)C(=O)NCc3ccccn3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3C[C@]4(C[C@H]3C(=O)N[C@@H](C[C@@H]3CCCCC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12.
What is the InChIKey of (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QXGCBZKECGIBPG-BRXAJRQCSA-N. The full InChI is InChI=1S/C34H37F2N3O6.C33H35F2N5O6.C33H39N3O6.C28H33F2N3O5.C28H35N3O5/c1-44-30-13-7-11-24-23(30)15-26(37-24)32(43)39-20-33(19-34(33,35)36)16-27(39)31(42)38-25(14-22-10-5-6-12-28(22)40)29(41)18-45-17-21-8-3-2-4-9-21;1-46-27-11-6-9-22-21(27)14-24(38-22)31(45)40-18-32(17-33(32,34)35)15-25(40)29(43)39-23(13-19-7-2-3-10-26(19)41)28(42)30(44)37-16-20-8-4-5-12-36-20;1-21-15-28(36(18-21)33(40)27-17-24-25(34-27)12-8-14-31(24)41-2)32(39)35-26(16-23-11-6-7-13-29(23)37)30(38)20-42-19-22-9-4-3-5-10-22;1-3-22(34)19(11-16-7-4-5-9-23(16)35)32-25(36)21-13-27(14-28(27,29)30)15-33(21)26(37)20-12-17-18(31-20)8-6-10-24(17)38-2;1-5-21(32)19(12-15-8-6-10-22(15)33)30-26(34)25-24-17(28(24,2)3)14-31(25)27(35)20-13-16-18(29-20)9-7-11-23(16)36-4/h2-4,7-9,11,13,15,22,25,27,37H,5-6,10,12,14,16-20H2,1H3,(H,38,42);4-6,8-9,11-12,14,19,23,25,38H,2-3,7,10,13,15-18H2,1H3,(H,37,44)(H,39,43);3-5,8-10,12,14,17,21,23,26,28,34H,6-7,11,13,15-16,18-20H2,1-2H3,(H,35,39);6,8,10,12,16,19,21,31H,3-5,7,9,11,13-15H2,1-2H3,(H,32,36);7,9,11,13,15,17,19,24-25,29H,5-6,8,10,12,14H2,1-4H3,(H,30,34)/t22-,25-,27-,33-;19?,23-,25-,32-;21-,23+,26+,28+;16-,19-,21-,27-;15-,17-,19-,24-,25-/m00100/s1.
What are the key properties of (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide?
(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 2854.23 g/mol, XLogP of 20.14, 48 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(3S,6S)-N-[(2S)-3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163917135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).