4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C178H233Cl2F9N20O14 — CID 158384253

IUPAC4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCCCN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(Cl)cc(C)[nH]c3=O)c3ccccc32)CC1.CC[C@H](C1CCN(CC(C)F)CC1)n1c(C)c(C(=O)CCc2c(OC)cc(C)[nH]c2=O)c2ccccc21.CCc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CCC(C)(F)F)CC2)c2ccccc12.CNc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CCC(C)(F)F)CC2)c2ccccc12.Cc1cc(Cl)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CC(C)(C)C)CC3)c3ccccc23)c(=O)[nH]1.Cc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CCC(C)(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C31H41F2N3O2.C30H40ClN3O2.C30H37F4N3O3.C30H40F2N4O2.C30H40FN3O3.C27H35ClN4O2/c1-6-23-19-20(2)34-30(38)25(23)11-12-28(37)29-22(4)36(27-10-8-7-9-26(27)29)21(3)24-13-16-35(17-14-24)18-15-31(5,32)33;1-19-17-25(31)23(29(36)32-19)11-12-27(35)28-21(3)34(26-10-8-7-9-24(26)28)20(2)22-13-15-33(16-14-22)18-30(4,5)6;1-18-17-26(40-29(31)32)23(28(39)35-18)9-10-25(38)27-20(3)37(24-8-6-5-7-22(24)27)19(2)21-11-14-36(15-12-21)16-13-30(4,33)34;1-19-18-25(33-5)23(29(38)34-19)10-11-27(37)28-21(3)36(26-9-7-6-8-24(26)28)20(2)22-12-15-35(16-13-22)17-14-30(4,31)32;1-6-25(22-13-15-33(16-14-22)18-19(2)31)34-21(4)29(23-9-7-8-10-26(23)34)27(35)12-11-24-28(37-5)17-20(3)32-30(24)36;1-5-12-31-13-10-20(11-14-31)18(3)32-19(4)25(21-8-6-7-9-24(21)32)27(34)29-16-22-23(28)15-17(2)30-26(22)33/h7-10,19,21,24H,6,11-18H2,1-5H3,(H,34,38);7-10,17,20,22H,11-16,18H2,1-6H3,(H,32,36);5-8,17,19,21,29H,9-16H2,1-4H3,(H,35,39);6-9,18,20,22H,10-17H2,1-5H3,(H2,33,34,38);7-10,17,19,22,25H,6,11-16,18H2,1-5H3,(H,32,36);6-9,15,18,20H,5,10-14,16H2,1-4H3,(H,29,34)(H,30,33)/t21-;20-;19-;20-;19?,25-;18-/m111111/s1
InChIKeyGWEINGCGNKJVAS-MQMDDLPWSA-N
MW3118.84 g/mol
LogP37.19
Rot. Bonds55

About 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 158384253) has the molecular formula C178H233Cl2F9N20O14 and a molecular weight of 3118.84 g/mol. Its IUPAC name is 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID158384253
Molecular FormulaC178H233Cl2F9N20O14
Molecular Weight3118.84 g/mol
Exact Mass3115.74
IUPAC Name4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCCCN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(Cl)cc(C)[nH]c3=O)c3ccccc32)CC1.CC[C@H](C1CCN(CC(C)F)CC1)n1c(C)c(C(=O)CCc2c(OC)cc(C)[nH]c2=O)c2ccccc21.CCc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CCC(C)(F)F)CC2)c2ccccc12.CNc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CCC(C)(F)F)CC2)c2ccccc12.Cc1cc(Cl)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CC(C)(C)C)CC3)c3ccccc23)c(=O)[nH]1.Cc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CCC(C)(F)F)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C31H41F2N3O2.C30H40ClN3O2.C30H37F4N3O3.C30H40F2N4O2.C30H40FN3O3.C27H35ClN4O2/c1-6-23-19-20(2)34-30(38)25(23)11-12-28(37)29-22(4)36(27-10-8-7-9-26(27)29)21(3)24-13-16-35(17-14-24)18-15-31(5,32)33;1-19-17-25(31)23(29(36)32-19)11-12-27(35)28-21(3)34(26-10-8-7-9-24(26)28)20(2)22-13-15-33(16-14-22)18-30(4,5)6;1-18-17-26(40-29(31)32)23(28(39)35-18)9-10-25(38)27-20(3)37(24-8-6-5-7-22(24)27)19(2)21-11-14-36(15-12-21)16-13-30(4,33)34;1-19-18-25(33-5)23(29(38)34-19)10-11-27(37)28-21(3)36(26-9-7-6-8-24(26)28)20(2)22-12-15-35(16-13-22)17-14-30(4,31)32;1-6-25(22-13-15-33(16-14-22)18-19(2)31)34-21(4)29(23-9-7-8-10-26(23)34)27(35)12-11-24-28(37-5)17-20(3)32-30(24)36;1-5-12-31-13-10-20(11-14-31)18(3)32-19(4)25(21-8-6-7-9-24(21)32)27(34)29-16-22-23(28)15-17(2)30-26(22)33/h7-10,19,21,24H,6,11-18H2,1-5H3,(H,34,38);7-10,17,20,22H,11-16,18H2,1-6H3,(H,32,36);5-8,17,19,21,29H,9-16H2,1-4H3,(H,35,39);6-9,18,20,22H,10-17H2,1-5H3,(H2,33,34,38);7-10,17,19,22,25H,6,11-16,18H2,1-5H3,(H,32,36);6-9,15,18,20H,5,10-14,16H2,1-4H3,(H,29,34)(H,30,33)/t21-;20-;19-;20-;19?,25-;18-/m111111/s1
InChIKeyGWEINGCGNKJVAS-MQMDDLPWSA-N
XLogP37.19
TPSA391.12 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds55
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003118.84
LogP ≤ 537.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide
CID 144791487
3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[1-[1-(1-cyclobutyl-3-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[1-[1-[1-(2,2-difluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;3-[3-[1-[1-[1-(2-fluoropropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylcyclohexyl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 157252164
1-[1-(1-ethylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 157525096
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 158165654
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 158165655
4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;bis(4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one)
CID 158406154
4,6-dimethyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indole-3-carboxylate;methyl 2-methyl-1-[1-[2-(trifluoromethyl)piperidin-4-yl]ethyl]indole-3-carboxylate;2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indole-3-carboxylic acid
CID 158752117
4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2R,4S)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1S)-1-[(2R,4S)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1S)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 158845591
4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159121363
4,6-dimethyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;3-[3-[1-[1-[2-(1-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-3-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159277313
CID 159983901
CID 159983901
carbon dioxide;chloro-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;1-[(1R)-1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-2-methylindole;3-[3-[1-[(1R)-1-[1-(2,2-difluoropropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;ethanone;uranium
CID 160057936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 158384253) is 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is CCCN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(Cl)cc(C)[nH]c3=O)c3ccccc32)CC1.CC[C@H](C1CCN(CC(C)F)CC1)n1c(C)c(C(=O)CCc2c(OC)cc(C)[nH]c2=O)c2ccccc21.CCc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CCC(C)(F)F)CC2)c2ccccc12.CNc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CCC(C)(F)F)CC2)c2ccccc12.Cc1cc(Cl)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CC(C)(C)C)CC3)c3ccccc23)c(=O)[nH]1.Cc1cc(OC(F)F)c(CCC(=O)c2c(C)n([C@H](C)C3CCN(CCC(C)(F)F)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The InChIKey is GWEINGCGNKJVAS-MQMDDLPWSA-N. The full InChI is InChI=1S/C31H41F2N3O2.C30H40ClN3O2.C30H37F4N3O3.C30H40F2N4O2.C30H40FN3O3.C27H35ClN4O2/c1-6-23-19-20(2)34-30(38)25(23)11-12-28(37)29-22(4)36(27-10-8-7-9-26(27)29)21(3)24-13-16-35(17-14-24)18-15-31(5,32)33;1-19-17-25(31)23(29(36)32-19)11-12-27(35)28-21(3)34(26-10-8-7-9-24(26)28)20(2)22-13-15-33(16-14-22)18-30(4,5)6;1-18-17-26(40-29(31)32)23(28(39)35-18)9-10-25(38)27-20(3)37(24-8-6-5-7-22(24)27)19(2)21-11-14-36(15-12-21)16-13-30(4,33)34;1-19-18-25(33-5)23(29(38)34-19)10-11-27(37)28-21(3)36(26-9-7-6-8-24(26)28)20(2)22-12-15-35(16-13-22)17-14-30(4,31)32;1-6-25(22-13-15-33(16-14-22)18-19(2)31)34-21(4)29(23-9-7-8-10-26(23)34)27(35)12-11-24-28(37-5)17-20(3)32-30(24)36;1-5-12-31-13-10-20(11-14-31)18(3)32-19(4)25(21-8-6-7-9-24(21)32)27(34)29-16-22-23(28)15-17(2)30-26(22)33/h7-10,19,21,24H,6,11-18H2,1-5H3,(H,34,38);7-10,17,20,22H,11-16,18H2,1-6H3,(H,32,36);5-8,17,19,21,29H,9-16H2,1-4H3,(H,35,39);6-9,18,20,22H,10-17H2,1-5H3,(H2,33,34,38);7-10,17,19,22,25H,6,11-16,18H2,1-5H3,(H,32,36);6-9,15,18,20H,5,10-14,16H2,1-4H3,(H,29,34)(H,30,33)/t21-;20-;19-;20-;19?,25-;18-/m111111/s1.
What are the key properties of 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 3118.84 g/mol, XLogP of 37.19, 55 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[1-[(1R)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-1H-pyridin-2-one;N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-propylpiperidin-4-yl)ethyl]indole-3-carboxamide;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-(difluoromethoxy)-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-ethyl-6-methyl-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(3,3-difluorobutyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-6-methyl-4-(methylamino)-1H-pyridin-2-one;3-[3-[1-[(1R)-1-[1-(2-fluoropropyl)piperidin-4-yl]propyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 158384253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).