1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one

C61H49ClF10N12O4 — CID 159355575

IUPAC1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one
SMILESCc1cc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n2)CC3)cc(Cl)c1F.O=C(c1cc(-c2cccnc2)n(-c2ccc(F)c(C(F)(F)F)c2)n1)N1C2CCC1CC1(C2)C(=O)NCN1c1ccc(F)cc1
InChIInChI=1S/C31H25F5N6O2.C30H24ClF5N6O2/c32-19-3-5-20(6-4-19)40-17-38-29(44)30(40)14-22-7-8-23(15-30)41(22)28(43)26-13-27(18-2-1-11-37-16-18)42(39-26)21-9-10-25(33)24(12-21)31(34,35)36;1-17-11-20(13-22(31)26(17)33)41-16-38-28(44)29(41)6-9-40(10-7-29)27(43)24-14-25(18-3-2-8-37-15-18)42(39-24)19-4-5-23(32)21(12-19)30(34,35)36/h1-6,9-13,16,22-23H,7-8,14-15,17H2,(H,38,44);2-5,8,11-15H,6-7,9-10,16H2,1H3,(H,38,44)
InChIKeyLHWLYGVUKPJRHX-UHFFFAOYSA-N
MW1239.58 g/mol
LogP11.09
Rot. Bonds8

About 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one

1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one (PubChem CID 159355575) has the molecular formula C61H49ClF10N12O4 and a molecular weight of 1239.58 g/mol. Its IUPAC name is 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one
PubChem CID159355575
Molecular FormulaC61H49ClF10N12O4
Molecular Weight1239.58 g/mol
Exact Mass1238.35
IUPAC Name1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one
SMILESCc1cc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n2)CC3)cc(Cl)c1F.O=C(c1cc(-c2cccnc2)n(-c2ccc(F)c(C(F)(F)F)c2)n1)N1C2CCC1CC1(C2)C(=O)NCN1c1ccc(F)cc1
InChIInChI=1S/C31H25F5N6O2.C30H24ClF5N6O2/c32-19-3-5-20(6-4-19)40-17-38-29(44)30(40)14-22-7-8-23(15-30)41(22)28(43)26-13-27(18-2-1-11-37-16-18)42(39-26)21-9-10-25(33)24(12-21)31(34,35)36;1-17-11-20(13-22(31)26(17)33)41-16-38-28(44)29(41)6-9-40(10-7-29)27(43)24-14-25(18-3-2-8-37-15-18)42(39-24)19-4-5-23(32)21(12-19)30(34,35)36/h1-6,9-13,16,22-23H,7-8,14-15,17H2,(H,38,44);2-5,8,11-15H,6-7,9-10,16H2,1H3,(H,38,44)
InChIKeyLHWLYGVUKPJRHX-UHFFFAOYSA-N
XLogP11.09
TPSA166.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.58
LogP ≤ 511.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one with MolForge

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Related Compounds

1-(3-Chloro-4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 118215047
1-(3,5-Dichloro-4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 124167884
1'-(4-Fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one
CID 124167885
1-(3-Chloro-4-fluorophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 124171968
5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157195638
5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158353477
(2S)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 158377412
Bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one
CID 158558863
1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 158717120
4-[4-[2-Chloro-6-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[2-chloro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 159361425
1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chlorophenyl)-N-methyl-5-propan-2-ylpyrazole-3-carboxamide;[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 159584256
1-(4-chloro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-3-carboxamide;1-(4-chlorophenyl)-N-methyl-5-propan-2-ylpyrazole-3-carboxamide;[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 159723244

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one?
The IUPAC name of 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one (CID 159355575) is 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one.
What is the SMILES notation for 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one?
The canonical SMILES for 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one is Cc1cc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(F)c(C(F)(F)F)c4)n2)CC3)cc(Cl)c1F.O=C(c1cc(-c2cccnc2)n(-c2ccc(F)c(C(F)(F)F)c2)n1)N1C2CCC1CC1(C2)C(=O)NCN1c1ccc(F)cc1.
What is the InChIKey of 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one?
The InChIKey is LHWLYGVUKPJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F5N6O2.C30H24ClF5N6O2/c32-19-3-5-20(6-4-19)40-17-38-29(44)30(40)14-22-7-8-23(15-30)41(22)28(43)26-13-27(18-2-1-11-37-16-18)42(39-26)21-9-10-25(33)24(12-21)31(34,35)36;1-17-11-20(13-22(31)26(17)33)41-16-38-28(44)29(41)6-9-40(10-7-29)27(43)24-14-25(18-3-2-8-37-15-18)42(39-24)19-4-5-23(32)21(12-19)30(34,35)36/h1-6,9-13,16,22-23H,7-8,14-15,17H2,(H,38,44);2-5,8,11-15H,6-7,9-10,16H2,1H3,(H,38,44).
What are the key properties of 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one?
1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one has a molecular weight of 1239.58 g/mol, XLogP of 11.09, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluoro-5-methylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;1'-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-4'-one is sourced from PubChem (CID 159355575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).