2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

C17H15ClF3N5O2 — CID 134145042

IUPAC2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12
InChIInChI=1S/C17H15ClF3N5O2/c1-3-22-16(28)15-9(2)4-5-13-23-10(6-14(27)26(13)15)8-25-12(18)7-11(24-25)17(19,20)21/h4-7H,3,8H2,1-2H3,(H,22,28)
InChIKeyBXLXHSYIIZXMMZ-UHFFFAOYSA-N
MW413.79 g/mol
LogP2.67
Rot. Bonds4

About 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 134145042) has the molecular formula C17H15ClF3N5O2 and a molecular weight of 413.79 g/mol. Its IUPAC name is 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID134145042
Molecular FormulaC17H15ClF3N5O2
Molecular Weight413.79 g/mol
Exact Mass413.09
IUPAC Name2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12
InChIInChI=1S/C17H15ClF3N5O2/c1-3-22-16(28)15-9(2)4-5-13-23-10(6-14(27)26(13)15)8-25-12(18)7-11(24-25)17(19,20)21/h4-7H,3,8H2,1-2H3,(H,22,28)
InChIKeyBXLXHSYIIZXMMZ-UHFFFAOYSA-N
XLogP2.67
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118017739
(1r,2r)-2-(2-{[5-Chloro-3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]methyl}-7-Methyl-4-Oxo-4h-Pyrido[1,2-A]pyrimidin-6-Yl)cyclopropane-1-Carbonitrile
CID 134157459
(1R,2R)-2-[2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 134152062
2-[[5-Chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134153491
US10280165, Example 43
CID 122630649
US10280165, Example 44
CID 134489507
US10280165, Example 39
CID 140869612
US10280165, Example 50
CID 134489512
US10280165, Example 51
CID 134489513
US10280165, Example 48
CID 134489509
US10280165, Example 49
CID 134489511
US10280165, Example 54
CID 134489516

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 134145042) is 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12.
What is the InChIKey of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is BXLXHSYIIZXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O2/c1-3-22-16(28)15-9(2)4-5-13-23-10(6-14(27)26(13)15)8-25-12(18)7-11(24-25)17(19,20)21/h4-7H,3,8H2,1-2H3,(H,22,28).
What are the key properties of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 413.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134145042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).