1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one

C120H95Cl2F18IN20O8 — CID 158085200

IUPAC1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4ccc(Cl)nc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C(F)(F)F)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(I)cc4)n3)CC1)C(=O)C2.O=C(c1cc(-c2ccc(Cl)nc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1
InChIInChI=1S/C31H24F7N5O2.2C30H23ClF5N5O2.C29H25FIN5O2/c1-17-4-5-18-13-26(44)42(28(18)27(17)32)21-8-11-41(12-9-21)29(45)23-15-25(19-3-2-10-39-16-19)43(40-23)24-7-6-20(30(33,34)35)14-22(24)31(36,37)38;31-27-8-1-18(17-37-27)25-16-24(38-41(25)21-6-7-22(23(33)15-21)30(34,35)36)28(43)39-13-10-29(11-14-39)26(42)9-12-40(29)20-4-2-19(32)3-5-20;1-16-2-3-17-12-26(42)40(28(17)27(16)33)19-8-10-39(11-9-19)29(43)23-14-24(18-4-7-25(31)37-15-18)41(38-23)20-5-6-21(22(32)13-20)30(34,35)36;1-18-4-5-19-15-26(37)35(28(19)27(18)30)22-10-13-34(14-11-22)29(38)24-16-25(20-3-2-12-32-17-20)36(33-24)23-8-6-21(31)7-9-23/h2-7,10,14-16,21H,8-9,11-13H2,1H3;1-8,15-17H,9-14H2;2-7,13-15,19H,8-12H2,1H3;2-9,12,16-17,22H,10-11,13-15H2,1H3
InChIKeyFNKVGOGXAYIESY-UHFFFAOYSA-N
MW2484.99 g/mol
LogP24.52
Rot. Bonds16

About 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one

1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one (PubChem CID 158085200) has the molecular formula C120H95Cl2F18IN20O8 and a molecular weight of 2484.99 g/mol. Its IUPAC name is 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
PubChem CID158085200
Molecular FormulaC120H95Cl2F18IN20O8
Molecular Weight2484.99 g/mol
Exact Mass2482.58
IUPAC Name1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4ccc(Cl)nc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C(F)(F)F)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(I)cc4)n3)CC1)C(=O)C2.O=C(c1cc(-c2ccc(Cl)nc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1
InChIInChI=1S/C31H24F7N5O2.2C30H23ClF5N5O2.C29H25FIN5O2/c1-17-4-5-18-13-26(44)42(28(18)27(17)32)21-8-11-41(12-9-21)29(45)23-15-25(19-3-2-10-39-16-19)43(40-23)24-7-6-20(30(33,34)35)14-22(24)31(36,37)38;31-27-8-1-18(17-37-27)25-16-24(38-41(25)21-6-7-22(23(33)15-21)30(34,35)36)28(43)39-13-10-29(11-14-39)26(42)9-12-40(29)20-4-2-19(32)3-5-20;1-16-2-3-17-12-26(42)40(28(17)27(16)33)19-8-10-39(11-9-19)29(43)23-14-24(18-4-7-25(31)37-15-18)41(38-23)20-5-6-21(22(32)13-20)30(34,35)36;1-18-4-5-19-15-26(37)35(28(19)27(18)30)22-10-13-34(14-11-22)29(38)24-16-25(20-3-2-12-32-17-20)36(33-24)23-8-6-21(31)7-9-23/h2-7,10,14-16,21H,8-9,11-13H2,1H3;1-8,15-17H,9-14H2;2-7,13-15,19H,8-12H2,1H3;2-9,12,16-17,22H,10-11,13-15H2,1H3
InChIKeyFNKVGOGXAYIESY-UHFFFAOYSA-N
XLogP24.52
TPSA285.32 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002484.99
LogP ≤ 524.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one with MolForge

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Related Compounds

5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157314839
7-[[6-chloro-3-(trifluoromethyl)pyridazin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methane;4-(2-methyl-1H-pyrazol-2-ium-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 157331488
1-[7-[[2-Chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 157446304
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 157467989
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
8-[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[4-methyl-5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 157701145
6,7-difluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[5,4-f]quinoline-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[4,5-h]quinoline-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[5,4-f]quinoline-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[4,5-h]quinoline-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 157848137
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157863488
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;2-[6-(aminomethyl)-3H-indol-1-ium-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157943350
1-(4-fluoro-3,5-dimethylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-3H-indol-2-one;1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 157963030
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158345019
8-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylpiperidin-4-yl]-3H-indol-2-one;1-[4-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperazin-1-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one
CID 158389112

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one?
The IUPAC name of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one (CID 158085200) is 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one.
What is the SMILES notation for 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one?
The canonical SMILES for 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one is Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4ccc(Cl)nc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C(F)(F)F)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(I)cc4)n3)CC1)C(=O)C2.O=C(c1cc(-c2ccc(Cl)nc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.
What is the InChIKey of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one?
The InChIKey is FNKVGOGXAYIESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F7N5O2.2C30H23ClF5N5O2.C29H25FIN5O2/c1-17-4-5-18-13-26(44)42(28(18)27(17)32)21-8-11-41(12-9-21)29(45)23-15-25(19-3-2-10-39-16-19)43(40-23)24-7-6-20(30(33,34)35)14-22(24)31(36,37)38;31-27-8-1-18(17-37-27)25-16-24(38-41(25)21-6-7-22(23(33)15-21)30(34,35)36)28(43)39-13-10-29(11-14-39)26(42)9-12-40(29)20-4-2-19(32)3-5-20;1-16-2-3-17-12-26(42)40(28(17)27(16)33)19-8-10-39(11-9-19)29(43)23-14-24(18-4-7-25(31)37-15-18)41(38-23)20-5-6-21(22(32)13-20)30(34,35)36;1-18-4-5-19-15-26(37)35(28(19)27(18)30)22-10-13-34(14-11-22)29(38)24-16-25(20-3-2-12-32-17-20)36(33-24)23-8-6-21(31)7-9-23/h2-7,10,14-16,21H,8-9,11-13H2,1H3;1-8,15-17H,9-14H2;2-7,13-15,19H,8-12H2,1H3;2-9,12,16-17,22H,10-11,13-15H2,1H3.
What are the key properties of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one?
1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one has a molecular weight of 2484.99 g/mol, XLogP of 24.52, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;8-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;7-fluoro-1-[1-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one is sourced from PubChem (CID 158085200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).