[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane

C126H114F20N24O4 — CID 162206124

IUPAC[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane
SMILESC.C=C1NCN(c2c(C)cc(F)cc2C)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccc(C)nc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccc(C)nc3C)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccccn3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2
InChIInChI=1S/2C32H29F5N6O.C31H27F5N6O.C30H25F5N6O.CH4/c1-19-4-10-25(20(2)39-19)29-17-28(40-43(29)24-9-11-26(27(34)16-24)32(35,36)37)30(44)41-14-12-31(13-15-41)21(3)38-18-42(31)23-7-5-22(33)6-8-23;1-19-13-23(33)14-20(2)29(19)42-18-39-21(3)31(42)8-11-41(12-9-31)30(44)27-16-28(22-5-4-10-38-17-22)43(40-27)24-6-7-25(26(34)15-24)32(35,36)37;1-19-3-4-21(17-37-19)28-16-27(39-42(28)24-9-10-25(26(33)15-24)31(34,35)36)29(43)40-13-11-30(12-14-40)20(2)38-18-41(30)23-7-5-22(32)6-8-23;1-19-29(40(18-37-19)21-7-5-20(31)6-8-21)11-14-39(15-12-29)28(42)26-17-27(25-4-2-3-13-36-25)41(38-26)22-9-10-23(24(32)16-22)30(33,34)35;/h4-11,16-17,38H,3,12-15,18H2,1-2H3;4-7,10,13-17,39H,3,8-9,11-12,18H2,1-2H3;3-10,15-17,38H,2,11-14,18H2,1H3;2-10,13,16-17,37H,1,11-12,14-15,18H2;1H4
InChIKeyZSFBTJFATWCUDI-UHFFFAOYSA-N
MW2408.42 g/mol
LogP25.33
Rot. Bonds16

About [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane

[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane (PubChem CID 162206124) has the molecular formula C126H114F20N24O4 and a molecular weight of 2408.42 g/mol. Its IUPAC name is [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane.

Molecular Properties

Compound Name[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane
PubChem CID162206124
Molecular FormulaC126H114F20N24O4
Molecular Weight2408.42 g/mol
Exact Mass2406.91
IUPAC Name[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane
SMILESC.C=C1NCN(c2c(C)cc(F)cc2C)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccc(C)nc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccc(C)nc3C)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccccn3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2
InChIInChI=1S/2C32H29F5N6O.C31H27F5N6O.C30H25F5N6O.CH4/c1-19-4-10-25(20(2)39-19)29-17-28(40-43(29)24-9-11-26(27(34)16-24)32(35,36)37)30(44)41-14-12-31(13-15-41)21(3)38-18-42(31)23-7-5-22(33)6-8-23;1-19-13-23(33)14-20(2)29(19)42-18-39-21(3)31(42)8-11-41(12-9-31)30(44)27-16-28(22-5-4-10-38-17-22)43(40-27)24-6-7-25(26(34)15-24)32(35,36)37;1-19-3-4-21(17-37-19)28-16-27(39-42(28)24-9-10-25(26(33)15-24)31(34,35)36)29(43)40-13-11-30(12-14-40)20(2)38-18-41(30)23-7-5-22(32)6-8-23;1-19-29(40(18-37-19)21-7-5-20(31)6-8-21)11-14-39(15-12-29)28(42)26-17-27(25-4-2-3-13-36-25)41(38-26)22-9-10-23(24(32)16-22)30(33,34)35;/h4-11,16-17,38H,3,12-15,18H2,1-2H3;4-7,10,13-17,39H,3,8-9,11-12,18H2,1-2H3;3-10,15-17,38H,2,11-14,18H2,1H3;2-10,13,16-17,37H,1,11-12,14-15,18H2;1H4
InChIKeyZSFBTJFATWCUDI-UHFFFAOYSA-N
XLogP25.33
TPSA265.16 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.42
LogP ≤ 525.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Orn-0829 hydrate
CID 154572855
1-(4-Fluoro-3,5-dimethylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 118215072
1-(4-Fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 123958330
[1-(4-Fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone
CID 124167304
[1-(4-Fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone
CID 124167832
1-(4-Fluoro-2,6-dimethylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 124171986
1-[2,4-Bis(trifluoromethyl)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 124172037
8-[1-[2,4-Bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 124172060
N-[2-[4-[7-(difluoromethyl)-1-[1-[[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-7-propylbenzimidazol-5-yl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-7-methyl-3-(methylcarbamoyl)indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide
CID 132181762
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157052033
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-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157093602

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane?
The IUPAC name of [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane (CID 162206124) is [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane.
What is the SMILES notation for [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane?
The canonical SMILES for [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane is C.C=C1NCN(c2c(C)cc(F)cc2C)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccc(C)nc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccc(C)nc3C)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3ccccn3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.
What is the InChIKey of [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane?
The InChIKey is ZSFBTJFATWCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H29F5N6O.C31H27F5N6O.C30H25F5N6O.CH4/c1-19-4-10-25(20(2)39-19)29-17-28(40-43(29)24-9-11-26(27(34)16-24)32(35,36)37)30(44)41-14-12-31(13-15-41)21(3)38-18-42(31)23-7-5-22(33)6-8-23;1-19-13-23(33)14-20(2)29(19)42-18-39-21(3)31(42)8-11-41(12-9-31)30(44)27-16-28(22-5-4-10-38-17-22)43(40-27)24-6-7-25(26(34)15-24)32(35,36)37;1-19-3-4-21(17-37-19)28-16-27(39-42(28)24-9-10-25(26(33)15-24)31(34,35)36)29(43)40-13-11-30(12-14-40)20(2)38-18-41(30)23-7-5-22(32)6-8-23;1-19-29(40(18-37-19)21-7-5-20(31)6-8-21)11-14-39(15-12-29)28(42)26-17-27(25-4-2-3-13-36-25)41(38-26)22-9-10-23(24(32)16-22)30(33,34)35;/h4-11,16-17,38H,3,12-15,18H2,1-2H3;4-7,10,13-17,39H,3,8-9,11-12,18H2,1-2H3;3-10,15-17,38H,2,11-14,18H2,1H3;2-10,13,16-17,37H,1,11-12,14-15,18H2;1H4.
What are the key properties of [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane?
[5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane has a molecular weight of 2408.42 g/mol, XLogP of 25.33, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluoro-2,6-dimethylphenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazol-3-yl]methanone;methane is sourced from PubChem (CID 162206124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).