8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

C93H78F15N15O6 — CID 159114917

IUPAC8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
SMILESCc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)nn2-c2ccc(C(F)(F)F)c(F)c2)c(C)n1.Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)nn2-c2ccc(C(F)(F)F)c(F)c2)cn1.O=C(c1cc(-c2ccccn2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1
InChIInChI=1S/C32H28F5N5O2.C31H26F5N5O2.C30H24F5N5O2/c1-19-3-9-24(20(2)38-19)28-18-27(39-42(28)23-8-10-25(26(34)17-23)32(35,36)37)30(44)40-15-12-31(13-16-40)29(43)11-14-41(31)22-6-4-21(33)5-7-22;1-19-2-3-20(18-37-19)27-17-26(38-41(27)23-8-9-24(25(33)16-23)31(34,35)36)29(43)39-14-11-30(12-15-39)28(42)10-13-40(30)22-6-4-21(32)5-7-22;31-19-4-6-20(7-5-19)39-14-10-27(41)29(39)11-15-38(16-12-29)28(42)25-18-26(24-3-1-2-13-36-24)40(37-25)21-8-9-22(23(32)17-21)30(33,34)35/h3-10,17-18H,11-16H2,1-2H3;2-9,16-18H,10-15H2,1H3;1-9,13,17-18H,10-12,14-16H2
InChIKeyKEYRGGIFTMRYSI-UHFFFAOYSA-N
MW1786.72 g/mol
LogP17.98
Rot. Bonds12

About 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 159114917) has the molecular formula C93H78F15N15O6 and a molecular weight of 1786.72 g/mol. Its IUPAC name is 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
PubChem CID159114917
Molecular FormulaC93H78F15N15O6
Molecular Weight1786.72 g/mol
Exact Mass1785.60
IUPAC Name8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
SMILESCc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)nn2-c2ccc(C(F)(F)F)c(F)c2)c(C)n1.Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)nn2-c2ccc(C(F)(F)F)c(F)c2)cn1.O=C(c1cc(-c2ccccn2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1
InChIInChI=1S/C32H28F5N5O2.C31H26F5N5O2.C30H24F5N5O2/c1-19-3-9-24(20(2)38-19)28-18-27(39-42(28)23-8-10-25(26(34)17-23)32(35,36)37)30(44)40-15-12-31(13-16-40)29(43)11-14-41(31)22-6-4-21(33)5-7-22;1-19-2-3-20(18-37-19)27-17-26(38-41(27)23-8-9-24(25(33)16-23)31(34,35)36)29(43)39-14-11-30(12-15-39)28(42)10-13-40(30)22-6-4-21(32)5-7-22;31-19-4-6-20(7-5-19)39-14-10-27(41)29(39)11-15-38(16-12-29)28(42)25-18-26(24-3-1-2-13-36-24)40(37-25)21-8-9-22(23(32)17-21)30(33,34)35/h3-10,17-18H,11-16H2,1-2H3;2-9,16-18H,10-15H2,1H3;1-9,13,17-18H,10-12,14-16H2
InChIKeyKEYRGGIFTMRYSI-UHFFFAOYSA-N
XLogP17.98
TPSA213.99 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001786.72
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

Orn-0829 hydrate
CID 154572855
Hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))
CID 139131625
7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one
CID 123949786
8-[1-(3-Fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 124167193
8-[1-(3-Fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(3,4,5-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 124167200
1-(4-Fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 124167270
8-[1-(3-Fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-1,8-diazaspiro[4.5]decan-4-one
CID 124167271
8-[1-(3-Fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(2,3,4-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 124167291
1-(2,4-Difluorophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 124167298
8-[1-(3-Fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 124167770
8-[1-(3-Fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-[4-methyl-2-(trifluoromethyl)phenyl]-1,8-diazaspiro[4.5]decan-4-one
CID 124167771
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
CID 124167790

Frequently Asked Questions

What is the IUPAC name of 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (CID 159114917) is 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)nn2-c2ccc(C(F)(F)F)c(F)c2)c(C)n1.Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)nn2-c2ccc(C(F)(F)F)c(F)c2)cn1.O=C(c1cc(-c2ccccn2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.
What is the InChIKey of 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?
The InChIKey is KEYRGGIFTMRYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F5N5O2.C31H26F5N5O2.C30H24F5N5O2/c1-19-3-9-24(20(2)38-19)28-18-27(39-42(28)23-8-10-25(26(34)17-23)32(35,36)37)30(44)40-15-12-31(13-16-40)29(43)11-14-41(31)22-6-4-21(33)5-7-22;1-19-2-3-20(18-37-19)27-17-26(38-41(27)23-8-9-24(25(33)16-23)31(34,35)36)29(43)39-14-11-30(12-15-39)28(42)10-13-40(30)22-6-4-21(32)5-7-22;31-19-4-6-20(7-5-19)39-14-10-27(41)29(39)11-15-38(16-12-29)28(42)25-18-26(24-3-1-2-13-36-24)40(37-25)21-8-9-22(23(32)17-21)30(33,34)35/h3-10,17-18H,11-16H2,1-2H3;2-9,16-18H,10-15H2,1H3;1-9,13,17-18H,10-12,14-16H2.
What are the key properties of 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?
8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 1786.72 g/mol, XLogP of 17.98, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 159114917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).