About 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one
1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 158180394) has the molecular formula C156H127BrF27N25O11
and a molecular weight of 3120.75 g/mol. Its IUPAC name is 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one.
Frequently Asked Questions
What is the IUPAC name of 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one (CID 158180394) is 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one is C=C1CC(=O)C2(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC2)N1c1ccc(F)cc1.CC(F)(F)c1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)ccc1F.CC(F)Oc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)cc1.Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)cc(F)c1F.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one?
The InChIKey is FYNAFRFCWBETSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F7N5O2.C32H28F5N5O3.C31H25F6N5O2.C31H24F5N5O2.C30H24BrF4N5O2/c1-30(35,36)23-15-20(5-7-24(23)33)43-12-8-28(45)31(43)9-13-42(14-10-31)29(46)26-17-27(19-3-2-11-40-18-19)44(41-26)21-4-6-22(25(34)16-21)32(37,38)39;1-20(33)45-24-7-4-22(5-8-24)41-14-10-29(43)31(41)11-15-40(16-12-31)30(44)27-18-28(21-3-2-13-38-19-21)42(39-27)23-6-9-25(26(34)17-23)32(35,36)37;1-18-13-21(15-24(33)28(18)34)41-10-6-27(43)30(41)7-11-40(12-8-30)29(44)25-16-26(19-3-2-9-38-17-19)42(39-25)20-4-5-22(23(32)14-20)31(35,36)37;1-19-15-28(42)30(40(19)22-6-4-21(32)5-7-22)10-13-39(14-11-30)29(43)26-17-27(20-3-2-12-37-18-20)41(38-26)23-8-9-24(25(33)16-23)31(34,35)36;31-20-3-5-21(6-4-20)39-13-9-27(41)29(39)10-14-38(15-11-29)28(42)25-17-26(19-2-1-12-36-18-19)40(37-25)22-7-8-23(24(32)16-22)30(33,34)35/h2-7,11,15-18H,8-10,12-14H2,1H3;2-9,13,17-20H,10-12,14-16H2,1H3;2-5,9,13-17H,6-8,10-12H2,1H3;2-9,12,16-18H,1,10-11,13-15H2;1-8,12,16-18H,9-11,13-15H2.
What are the key properties of 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one?
1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 3120.75 g/mol, XLogP of 31.68, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 158180394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).