5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C22H19F3N8O — CID 25057280

IUPAC5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCNc1cc(-n2nccc2Nc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1
InChIInChI=1S/C22H19F3N8O/c1-13-6-7-16(21(34)30-15-5-3-4-14(10-15)22(23,24)25)31-20(13)32-18-8-9-29-33(18)19-11-17(26-2)27-12-28-19/h3-12H,1-2H3,(H,30,34)(H,31,32)(H,26,27,28)
InChIKeyRYLSUIUTWUXXLT-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.42
Rot. Bonds6

About 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 25057280) has the molecular formula C22H19F3N8O and a molecular weight of 468.44 g/mol. Its IUPAC name is 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID25057280
Molecular FormulaC22H19F3N8O
Molecular Weight468.44 g/mol
Exact Mass468.16
IUPAC Name5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCNc1cc(-n2nccc2Nc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1
InChIInChI=1S/C22H19F3N8O/c1-13-6-7-16(21(34)30-15-5-3-4-14(10-15)22(23,24)25)31-20(13)32-18-8-9-29-33(18)19-11-17(26-2)27-12-28-19/h3-12H,1-2H3,(H,30,34)(H,31,32)(H,26,27,28)
InChIKeyRYLSUIUTWUXXLT-UHFFFAOYSA-N
XLogP4.42
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 25057281
5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
CID 68701250
N-[4-methyl-3-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
CID 91211398
N-[4-methyl-3-[methyl-[3-(methylamino)-1-[6-(methylamino)pyrimidin-4-yl]pyrazol-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 25057284
1-[3-(1,1-difluoroethyl)phenyl]-3-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]urea
CID 59173343
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11526081
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939
3-[1-(dimethylamino)ethyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 68702675
6-(tert-butylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109373720
3-[[tert-butyl(hydroxy)amino]methyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 88536126
3-[2-(dimethylamino)ethyl-methylamino]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 68703958

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 25057280) is 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CNc1cc(-n2nccc2Nc2nc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1.
What is the InChIKey of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is RYLSUIUTWUXXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O/c1-13-6-7-16(21(34)30-15-5-3-4-14(10-15)22(23,24)25)31-20(13)32-18-8-9-29-33(18)19-11-17(26-2)27-12-28-19/h3-12H,1-2H3,(H,30,34)(H,31,32)(H,26,27,28).
What are the key properties of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 25057280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).