2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C143H162F12N20O27 — CID 163776731

IUPAC2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC(C(F)(F)F)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(CC3CCCNC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(C=O)CC3CCCNC3=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCNC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12
InChIInChI=1S/C33H36F2N4O6.C32H35F3N4O6.C27H32F2N4O5.C26H31F3N4O5.C25H28F2N4O5/c1-44-28-11-5-10-23-22(28)14-25(37-23)31(43)39-19-32(18-33(32,34)35)15-26(39)30(42)38-24(13-21-9-6-12-36-29(21)41)27(40)17-45-16-20-7-3-2-4-8-20;1-44-28-11-5-10-23-22(28)15-25(37-23)31(43)39-16-21(32(33,34)35)14-26(39)30(42)38-24(13-20-9-6-12-36-29(20)41)27(40)18-45-17-19-7-3-2-4-8-19;1-3-21(34)18(10-15-6-5-9-30-23(15)35)32-24(36)20-12-26(13-27(26,28)29)14-33(20)25(37)19-11-16-17(31-19)7-4-8-22(16)38-2;1-3-21(34)18(10-14-6-5-9-30-23(14)35)32-24(36)20-11-15(26(27,28)29)13-33(20)25(37)19-12-16-17(31-19)7-4-8-22(16)38-2;1-36-20-6-2-5-17-16(20)9-18(30-17)23(35)31-13-24(12-25(24,26)27)10-19(31)22(34)29-15(11-32)8-14-4-3-7-28-21(14)33/h2-5,7-8,10-11,14,21,24,26,37H,6,9,12-13,15-19H2,1H3,(H,36,41)(H,38,42);2-5,7-8,10-11,15,20-21,24,26,37H,6,9,12-14,16-18H2,1H3,(H,36,41)(H,38,42);4,7-8,11,15,18,20,31H,3,5-6,9-10,12-14H2,1-2H3,(H,30,35)(H,32,36);4,7-8,12,14-15,18,20,31H,3,5-6,9-11,13H2,1-2H3,(H,30,35)(H,32,36);2,5-6,9,11,14-15,19,30H,3-4,7-8,10,12-13H2,1H3,(H,28,33)(H,29,34)
InChIKeyMLDARZYBLIHGDG-UHFFFAOYSA-N
MW2820.96 g/mol
LogP15.12
Rot. Bonds45

About 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide

2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 163776731) has the molecular formula C143H162F12N20O27 and a molecular weight of 2820.96 g/mol. Its IUPAC name is 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID163776731
Molecular FormulaC143H162F12N20O27
Molecular Weight2820.96 g/mol
Exact Mass2819.17
IUPAC Name2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC(C(F)(F)F)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(CC3CCCNC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(C=O)CC3CCCNC3=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCNC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12
InChIInChI=1S/C33H36F2N4O6.C32H35F3N4O6.C27H32F2N4O5.C26H31F3N4O5.C25H28F2N4O5/c1-44-28-11-5-10-23-22(28)14-25(37-23)31(43)39-19-32(18-33(32,34)35)15-26(39)30(42)38-24(13-21-9-6-12-36-29(21)41)27(40)17-45-16-20-7-3-2-4-8-20;1-44-28-11-5-10-23-22(28)15-25(37-23)31(43)39-16-21(32(33,34)35)14-26(39)30(42)38-24(13-20-9-6-12-36-29(20)41)27(40)18-45-17-19-7-3-2-4-8-19;1-3-21(34)18(10-15-6-5-9-30-23(15)35)32-24(36)20-12-26(13-27(26,28)29)14-33(20)25(37)19-11-16-17(31-19)7-4-8-22(16)38-2;1-3-21(34)18(10-14-6-5-9-30-23(14)35)32-24(36)20-11-15(26(27,28)29)13-33(20)25(37)19-12-16-17(31-19)7-4-8-22(16)38-2;1-36-20-6-2-5-17-16(20)9-18(30-17)23(35)31-13-24(12-25(24,26)27)10-19(31)22(34)29-15(11-32)8-14-4-3-7-28-21(14)33/h2-5,7-8,10-11,14,21,24,26,37H,6,9,12-13,15-19H2,1H3,(H,36,41)(H,38,42);2-5,7-8,10-11,15,20-21,24,26,37H,6,9,12-14,16-18H2,1H3,(H,36,41)(H,38,42);4,7-8,11,15,18,20,31H,3,5-6,9-10,12-14H2,1-2H3,(H,30,35)(H,32,36);4,7-8,12,14-15,18,20,31H,3,5-6,9-11,13H2,1-2H3,(H,30,35)(H,32,36);2,5-6,9,11,14-15,19,30H,3-4,7-8,10,12-13H2,1H3,(H,28,33)(H,29,34)
InChIKeyMLDARZYBLIHGDG-UHFFFAOYSA-N
XLogP15.12
TPSA621.46 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds45
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002820.96
LogP ≤ 515.12
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(3S,6S)-2,2-difluoro-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;(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 163850894
(3S,6S)-N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 166936686
(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 163632725
2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
CID 162695492
(2S,4R)-4-(1,1-difluoropropyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166936389
5-(4-methoxy-1H-indole-2-carbonyl)-2-[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695487
methyl (2S)-2-[[(2S,4S)-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 162479066
(3S)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(3S)-2-oxo-5-[(3R)-2-oxopyrrolidin-3-yl]-1-phenylmethoxypentan-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 166936759
(3S)-N-benzyl-N'-[(3S,6S)-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptan-6-yl]-2-hydroxy-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 168865280
(7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 162695312
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
CID 162479216
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-(2-oxocyclohexyl)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)-2-oxocyclopentyl]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)-2-oxocyclopentyl]-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(6S)-5-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;(2S,4S)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 163869665

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 163776731) is 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide is CCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC(C(F)(F)F)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(CC3CCCNC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(C=O)CC3CCCNC3=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCNC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12.
What is the InChIKey of 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is MLDARZYBLIHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N4O6.C32H35F3N4O6.C27H32F2N4O5.C26H31F3N4O5.C25H28F2N4O5/c1-44-28-11-5-10-23-22(28)14-25(37-23)31(43)39-19-32(18-33(32,34)35)15-26(39)30(42)38-24(13-21-9-6-12-36-29(21)41)27(40)17-45-16-20-7-3-2-4-8-20;1-44-28-11-5-10-23-22(28)15-25(37-23)31(43)39-16-21(32(33,34)35)14-26(39)30(42)38-24(13-20-9-6-12-36-29(20)41)27(40)18-45-17-19-7-3-2-4-8-19;1-3-21(34)18(10-15-6-5-9-30-23(15)35)32-24(36)20-12-26(13-27(26,28)29)14-33(20)25(37)19-11-16-17(31-19)7-4-8-22(16)38-2;1-3-21(34)18(10-14-6-5-9-30-23(14)35)32-24(36)20-11-15(26(27,28)29)13-33(20)25(37)19-12-16-17(31-19)7-4-8-22(16)38-2;1-36-20-6-2-5-17-16(20)9-18(30-17)23(35)31-13-24(12-25(24,26)27)10-19(31)22(34)29-15(11-32)8-14-4-3-7-28-21(14)33/h2-5,7-8,10-11,14,21,24,26,37H,6,9,12-13,15-19H2,1H3,(H,36,41)(H,38,42);2-5,7-8,10-11,15,20-21,24,26,37H,6,9,12-14,16-18H2,1H3,(H,36,41)(H,38,42);4,7-8,11,15,18,20,31H,3,5-6,9-10,12-14H2,1-2H3,(H,30,35)(H,32,36);4,7-8,12,14-15,18,20,31H,3,5-6,9-11,13H2,1-2H3,(H,30,35)(H,32,36);2,5-6,9,11,14-15,19,30H,3-4,7-8,10,12-13H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 2820.96 g/mol, XLogP of 15.12, 45 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;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;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)-4-phenylmethoxybutan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163776731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).