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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
CID 134145042
US10280165, Example 17
CID 134489486
1-[(2-methylpyrazol-3-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492308
7-Methyl-2-[[1-(4-methylpyrazol-1-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53627362
1-methyl-2-oxo-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71808010
N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 127047277
US10280165, Example 18
CID 134489490
2-(2-(1H-pyrazol-1-yl)propanoyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632427
1-ethyl-3-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 136555214
7-Methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
CID 122630850
3-[2-[[3-[Difluoro(phosphanyl)methyl]pyrazol-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-6-yl]propanenitrile
CID 146186625
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 17509197

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).