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

C17H16F3N5O2 — CID 134489495

IUPACN-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12
InChIInChI=1S/C17H16F3N5O2/c1-3-21-16(27)15-10(2)4-5-13-22-11(8-14(26)25(13)15)9-24-7-6-12(23-24)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,21,27)
InChIKeyIUHQWCRWYUQNIU-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.02
Rot. Bonds4

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

N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 134489495) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID134489495
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12
InChIInChI=1S/C17H16F3N5O2/c1-3-21-16(27)15-10(2)4-5-13-22-11(8-14(26)25(13)15)9-24-7-6-12(23-24)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,21,27)
InChIKeyIUHQWCRWYUQNIU-UHFFFAOYSA-N
XLogP2.02
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide (CID 134489495) is N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1c(C)ccc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12.
What is the InChIKey of N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is IUHQWCRWYUQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-3-21-16(27)15-10(2)4-5-13-22-11(8-14(26)25(13)15)9-24-7-6-12(23-24)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,21,27).
What are the key properties of N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide?
N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134489495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).