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

C118H96F16N20O8 — CID 158389112

IUPAC8-[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
SMILESCC1CC(N2C(=O)Cc3ccccc32)CCN1C(=O)c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1.Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccc(C(F)(F)F)c(F)c4)n(-c4cccnc4)n2)CC3)cc1.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)Cc1ccccc12.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCN(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C31H27F4N5O2.C30H25F4N5O2.C29H22F4N4O2.C28H22F4N6O2/c1-20-4-7-22(8-5-20)39-14-10-28(41)30(39)11-15-38(16-12-30)29(42)26-18-27(40(37-26)23-3-2-13-36-19-23)21-6-9-24(25(32)17-21)31(33,34)35;1-18-13-21(38-26-7-3-2-5-19(26)14-28(38)40)10-12-37(18)29(41)25-16-27(20-6-4-11-35-17-20)39(36-25)22-8-9-23(24(31)15-22)30(32,33)34;30-23-15-20(7-8-22(23)29(31,32)33)37-25(19-5-3-11-34-17-19)16-24(35-37)27(39)36-12-9-28(10-13-36)21-6-2-1-4-18(21)14-26(28)38;29-22-15-20(7-8-21(22)28(30,31)32)37-25(19-5-3-9-33-17-19)16-23(34-37)27(40)35-10-12-36(13-11-35)38-24-6-2-1-4-18(24)14-26(38)39/h2-9,13,17-19H,10-12,14-16H2,1H3;2-9,11,15-18,21H,10,12-14H2,1H3;1-8,11,15-17H,9-10,12-14H2;1-9,15-17H,10-14H2
InChIKeyGWSOOFYFMPWXLA-UHFFFAOYSA-N
MW2226.17 g/mol
LogP21.28
Rot. Bonds15

About 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

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 (PubChem CID 158389112) has the molecular formula C118H96F16N20O8 and a molecular weight of 2226.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID158389112
Molecular FormulaC118H96F16N20O8
Molecular Weight2226.17 g/mol
Exact Mass2224.75
IUPAC Name8-[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
SMILESCC1CC(N2C(=O)Cc3ccccc32)CCN1C(=O)c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1.Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccc(C(F)(F)F)c(F)c4)n(-c4cccnc4)n2)CC3)cc1.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)Cc1ccccc12.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCN(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C31H27F4N5O2.C30H25F4N5O2.C29H22F4N4O2.C28H22F4N6O2/c1-20-4-7-22(8-5-20)39-14-10-28(41)30(39)11-15-38(16-12-30)29(42)26-18-27(40(37-26)23-3-2-13-36-19-23)21-6-9-24(25(32)17-21)31(33,34)35;1-18-13-21(38-26-7-3-2-5-19(26)14-28(38)40)10-12-37(18)29(41)25-16-27(20-6-4-11-35-17-20)39(36-25)22-8-9-23(24(31)15-22)30(32,33)34;30-23-15-20(7-8-22(23)29(31,32)33)37-25(19-5-3-11-34-17-19)16-24(35-37)27(39)36-12-9-28(10-13-36)21-6-2-1-4-18(21)14-26(28)38;29-22-15-20(7-8-21(22)28(30,31)32)37-25(19-5-3-9-33-17-19)16-23(34-37)27(40)35-10-12-36(13-11-35)38-24-6-2-1-4-18(24)14-26(38)39/h2-9,13,17-19H,10-12,14-16H2,1H3;2-9,11,15-18,21H,10,12-14H2,1H3;1-8,11,15-17H,9-10,12-14H2;1-9,15-17H,10-14H2
InChIKeyGWSOOFYFMPWXLA-UHFFFAOYSA-N
XLogP21.28
TPSA285.32 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.17
LogP ≤ 521.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]propanamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 157076869
5-(5-amino-3-pyridinyl)-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157165576
(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157206651
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
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
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-(5-amino-3-pyridinyl)-N-(6-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157523433
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane
CID 157551036
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
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-methylpyrazol-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]-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methyl-2-oxo-3H-indol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 157637374
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(N2C(=O)Cc3ccccc32)CCN1C(=O)c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1.Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccc(C(F)(F)F)c(F)c4)n(-c4cccnc4)n2)CC3)cc1.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)Cc1ccccc12.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCN(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 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?
The InChIKey is GWSOOFYFMPWXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F4N5O2.C30H25F4N5O2.C29H22F4N4O2.C28H22F4N6O2/c1-20-4-7-22(8-5-20)39-14-10-28(41)30(39)11-15-38(16-12-30)29(42)26-18-27(40(37-26)23-3-2-13-36-19-23)21-6-9-24(25(32)17-21)31(33,34)35;1-18-13-21(38-26-7-3-2-5-19(26)14-28(38)40)10-12-37(18)29(41)25-16-27(20-6-4-11-35-17-20)39(36-25)22-8-9-23(24(31)15-22)30(32,33)34;30-23-15-20(7-8-22(23)29(31,32)33)37-25(19-5-3-11-34-17-19)16-24(35-37)27(39)36-12-9-28(10-13-36)21-6-2-1-4-18(21)14-26(28)38;29-22-15-20(7-8-21(22)28(30,31)32)37-25(19-5-3-9-33-17-19)16-23(34-37)27(40)35-10-12-36(13-11-35)38-24-6-2-1-4-18(24)14-26(38)39/h2-9,13,17-19H,10-12,14-16H2,1H3;2-9,11,15-18,21H,10,12-14H2,1H3;1-8,11,15-17H,9-10,12-14H2;1-9,15-17H,10-14H2.
What are the key properties of 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?
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 has a molecular weight of 2226.17 g/mol, XLogP of 21.28, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158389112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).