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

C15H10ClF3N4O2 — CID 134489511

IUPAC6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12
InChIInChI=1S/C15H10ClF3N4O2/c1-8(24)10-3-2-4-13-20-9(5-14(25)23(10)13)7-22-12(16)6-11(21-22)15(17,18)19/h2-6H,7H2,1H3
InChIKeyDLJUZBHJTMNLHY-UHFFFAOYSA-N
MW370.72 g/mol
LogP2.81
Rot. Bonds3

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

6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134489511) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID134489511
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12
InChIInChI=1S/C15H10ClF3N4O2/c1-8(24)10-3-2-4-13-20-9(5-14(25)23(10)13)7-22-12(16)6-11(21-22)15(17,18)19/h2-6H,7H2,1H3
InChIKeyDLJUZBHJTMNLHY-UHFFFAOYSA-N
XLogP2.81
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 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

(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
cis-(1R,2R)-2-[7-chloro-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 122630795
(1R,2R)-2-[2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 134137374
(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
(1R,2R)-2-[2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-7-fluoro-4-oxopyrido[1,2-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 134153879
(1S,2R)-2-[7-chloro-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 139578334
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 47
CID 134489510
US10280165, Example 39
CID 140869612
2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
CID 134145042

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 134489511) is 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12.
What is the InChIKey of 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DLJUZBHJTMNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c1-8(24)10-3-2-4-13-20-9(5-14(25)23(10)13)7-22-12(16)6-11(21-22)15(17,18)19/h2-6H,7H2,1H3.
What are the key properties of 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 370.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134489511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).