7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide

C15H12F3N5O2 — CID 122630850

IUPAC7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n2c1C(N)=O
InChIInChI=1S/C15H12F3N5O2/c1-8-2-3-11-20-9(6-12(24)23(11)13(8)14(19)25)7-22-5-4-10(21-22)15(16,17)18/h2-6H,7H2,1H3,(H2,19,25)
InChIKeyQZIJSPPRNSFELH-UHFFFAOYSA-N
MW351.29 g/mol
LogP1.37
Rot. Bonds3

About 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide

7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 122630850) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID122630850
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCc1ccc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n2c1C(N)=O
InChIInChI=1S/C15H12F3N5O2/c1-8-2-3-11-20-9(6-12(24)23(11)13(8)14(19)25)7-22-5-4-10(21-22)15(16,17)18/h2-6H,7H2,1H3,(H2,19,25)
InChIKeyQZIJSPPRNSFELH-UHFFFAOYSA-N
XLogP1.37
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide (CID 122630850) is 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide is Cc1ccc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n2c1C(N)=O.
What is the InChIKey of 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is QZIJSPPRNSFELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-8-2-3-11-20-9(6-12(24)23(11)13(8)14(19)25)7-22-5-4-10(21-22)15(16,17)18/h2-6H,7H2,1H3,(H2,19,25).
What are the key properties of 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 122630850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).