2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one

C17H14ClF3N4O — CID 134153491

IUPAC2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C1CC1
InChIInChI=1S/C17H14ClF3N4O/c1-9-2-5-14-22-11(6-15(26)25(14)16(9)10-3-4-10)8-24-13(18)7-12(23-24)17(19,20)21/h2,5-7,10H,3-4,8H2,1H3
InChIKeyGEIOXZFFDIRFRZ-UHFFFAOYSA-N
MW382.77 g/mol
LogP3.80
Rot. Bonds3

About 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 134153491) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID134153491
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C1CC1
InChIInChI=1S/C17H14ClF3N4O/c1-9-2-5-14-22-11(6-15(26)25(14)16(9)10-3-4-10)8-24-13(18)7-12(23-24)17(19,20)21/h2,5-7,10H,3-4,8H2,1H3
InChIKeyGEIOXZFFDIRFRZ-UHFFFAOYSA-N
XLogP3.80
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 134153491) is 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C1CC1.
What is the InChIKey of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GEIOXZFFDIRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-9-2-5-14-22-11(6-15(26)25(14)16(9)10-3-4-10)8-24-13(18)7-12(23-24)17(19,20)21/h2,5-7,10H,3-4,8H2,1H3.
What are the key properties of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134153491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).