5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid

C52H47F6N15O11S — CID 160935381

IUPAC5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)c4cn(C)cn4)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1.COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1
InChIInChI=1S/C28H26F3N9O6S.C24H21F3N6O5/c1-15-6-22(28(29,30)31)37-40(15)24-21(12-33-27(36-24)35-17-8-18(44-3)10-19(9-17)45-4)16-7-20(26(46-5)32-11-16)25(41)38-47(42,43)23-13-39(2)14-34-23;1-12-5-19(24(25,26)27)32-33(12)20-18(13-6-17(22(34)35)21(38-4)28-10-13)11-29-23(31-20)30-14-7-15(36-2)9-16(8-14)37-3/h6-14H,1-5H3,(H,38,41)(H,33,35,36);5-11H,1-4H3,(H,34,35)(H,29,30,31)
InChIKeySTUQPDPCYYFCEO-UHFFFAOYSA-N
MW1204.10 g/mol
LogP8.19
Rot. Bonds18

About 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid

5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid (PubChem CID 160935381) has the molecular formula C52H47F6N15O11S and a molecular weight of 1204.10 g/mol. Its IUPAC name is 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid
PubChem CID160935381
Molecular FormulaC52H47F6N15O11S
Molecular Weight1204.10 g/mol
Exact Mass1203.32
IUPAC Name5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)c4cn(C)cn4)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1.COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1
InChIInChI=1S/C28H26F3N9O6S.C24H21F3N6O5/c1-15-6-22(28(29,30)31)37-40(15)24-21(12-33-27(36-24)35-17-8-18(44-3)10-19(9-17)45-4)16-7-20(26(46-5)32-11-16)25(41)38-47(42,43)23-13-39(2)14-34-23;1-12-5-19(24(25,26)27)32-33(12)20-18(13-6-17(22(34)35)21(38-4)28-10-13)11-29-23(31-20)30-14-7-15(36-2)9-16(8-14)37-3/h6-14H,1-5H3,(H,38,41)(H,33,35,36);5-11H,1-4H3,(H,34,35)(H,29,30,31)
InChIKeySTUQPDPCYYFCEO-UHFFFAOYSA-N
XLogP8.19
TPSA310.78 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.10
LogP ≤ 58.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-methoxypyridine-3-carboxamide
CID 59353222
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxy-N-{[3-(morpholin-4-yl)propyl]sulfonyl}pyridine-3-carboxamide
CID 59353310
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxy-N-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]pyridine-3-carboxamide
CID 59353327
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-N-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]sulfonyl}-2-methoxypyridine-3-carboxamide
CID 59353479
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxy-N-(propan-2-ylsulfonyl)pyridine-3-carboxamide
CID 59353614
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxy-N-[(2,2,2-trifluoroethyl)sulfonyl]pyridine-3-carboxamide
CID 59353650
N-[4-(acetamidomethyl)phenyl]sulfonyl-5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 59353661
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxy-N-(propylsulfonyl)pyridine-3-carboxamide
CID 59353705
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxy-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]sulfonyl}pyridine-3-carboxamide
CID 59353723
N-[(3-acetylphenyl)sulfonyl]-5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-2-methoxypyridine-3-carboxamide
CID 59353772
5-{2-[(3,5-dimethoxyphenyl)amino]-4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidin-5-yl}-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-methoxypyridine-3-carboxamide
CID 59353797
Methyl 5-[2-(3,5-dimethoxyanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-imidazol-1-ylpyridine-3-carboxylate
CID 59353820

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid (CID 160935381) is 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid is COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)c4cn(C)cn4)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1.COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1.
What is the InChIKey of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid?
The InChIKey is STUQPDPCYYFCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N9O6S.C24H21F3N6O5/c1-15-6-22(28(29,30)31)37-40(15)24-21(12-33-27(36-24)35-17-8-18(44-3)10-19(9-17)45-4)16-7-20(26(46-5)32-11-16)25(41)38-47(42,43)23-13-39(2)14-34-23;1-12-5-19(24(25,26)27)32-33(12)20-18(13-6-17(22(34)35)21(38-4)28-10-13)11-29-23(31-20)30-14-7-15(36-2)9-16(8-14)37-3/h6-14H,1-5H3,(H,38,41)(H,33,35,36);5-11H,1-4H3,(H,34,35)(H,29,30,31).
What are the key properties of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid?
5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 1204.10 g/mol, XLogP of 8.19, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxy-N-(1-methylimidazol-4-yl)sulfonylpyridine-3-carboxamide;5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 160935381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).