N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide

C22H18F4N6O — CID 137425480

IUPACN-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(N(C)C(=O)c2ccnn2C)ccc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)c1F
InChIInChI=1S/C22H18F4N6O/c1-11-9-17(22(24,25)26)29-14-10-27-20(30-19(11)14)13-5-6-15(12(2)18(13)23)31(3)21(33)16-7-8-28-32(16)4/h5-10H,1-4H3
InChIKeyMLIKMSFSWSGYJF-UHFFFAOYSA-N
MW458.42 g/mol
LogP4.48
Rot. Bonds3

About N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide

N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 137425480) has the molecular formula C22H18F4N6O and a molecular weight of 458.42 g/mol. Its IUPAC name is N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID137425480
Molecular FormulaC22H18F4N6O
Molecular Weight458.42 g/mol
Exact Mass458.15
IUPAC NameN-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(N(C)C(=O)c2ccnn2C)ccc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)c1F
InChIInChI=1S/C22H18F4N6O/c1-11-9-17(22(24,25)26)29-14-10-27-20(30-19(11)14)13-5-6-15(12(2)18(13)23)31(3)21(33)16-7-8-28-32(16)4/h5-10H,1-4H3
InChIKeyMLIKMSFSWSGYJF-UHFFFAOYSA-N
XLogP4.48
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137434668
N,2-dimethyl-N-[2-methyl-4-[6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425541
N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137425147
N-[3-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 142520460
2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 157178490
2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]aniline
CID 137425102
2-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 142520430
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129001119
2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425531
methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 137425297
N,2-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110467101
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide (CID 137425480) is N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide is Cc1c(N(C)C(=O)c2ccnn2C)ccc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)c1F.
What is the InChIKey of N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is MLIKMSFSWSGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O/c1-11-9-17(22(24,25)26)29-14-10-27-20(30-19(11)14)13-5-6-15(12(2)18(13)23)31(3)21(33)16-7-8-28-32(16)4/h5-10H,1-4H3.
What are the key properties of N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 458.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 137425480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).