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

C21H16F4N6O — CID 137434668

IUPACN-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc2cnc(-c3ccc(N(C)C(=O)c4ccnn4C)c(F)c3)nc12
InChIInChI=1S/C21H16F4N6O/c1-11-8-17(21(23,24)25)28-14-10-26-19(29-18(11)14)12-4-5-15(13(22)9-12)30(2)20(32)16-6-7-27-31(16)3/h4-10H,1-3H3
InChIKeyFHTAODDVPDOGRN-UHFFFAOYSA-N
MW444.39 g/mol
LogP4.17
Rot. Bonds3

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

N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 137434668) has the molecular formula C21H16F4N6O and a molecular weight of 444.39 g/mol. Its IUPAC name is N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID137434668
Molecular FormulaC21H16F4N6O
Molecular Weight444.39 g/mol
Exact Mass444.13
IUPAC NameN-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc2cnc(-c3ccc(N(C)C(=O)c4ccnn4C)c(F)c3)nc12
InChIInChI=1S/C21H16F4N6O/c1-11-8-17(21(23,24)25)28-14-10-26-19(29-18(11)14)12-4-5-15(13(22)9-12)30(2)20(32)16-6-7-27-31(16)3/h4-10H,1-3H3
InChIKeyFHTAODDVPDOGRN-UHFFFAOYSA-N
XLogP4.17
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N,2-dimethyl-N-[2-methyl-4-[6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425541
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
N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137425147
methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 137425297
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
2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425531
methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
CID 137425160
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-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425322
N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2H-triazole-4-carboxamide
CID 137425130

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide (CID 137434668) is N-[2-fluoro-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-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide is Cc1cc(C(F)(F)F)nc2cnc(-c3ccc(N(C)C(=O)c4ccnn4C)c(F)c3)nc12.
What is the InChIKey of N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is FHTAODDVPDOGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N6O/c1-11-8-17(21(23,24)25)28-14-10-26-19(29-18(11)14)12-4-5-15(13(22)9-12)30(2)20(32)16-6-7-27-31(16)3/h4-10H,1-3H3.
What are the key properties of N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 444.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 137434668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).