7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H15ClFN3O — CID 18087800

IUPAC7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C17H15ClFN3O/c1-21(9-12-2-5-14(19)6-3-12)11-15-8-17(23)22-10-13(18)4-7-16(22)20-15/h2-8,10H,9,11H2,1H3
InChIKeyYZLMGKGCUNLNKS-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.12
Rot. Bonds4

About 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18087800) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18087800
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C17H15ClFN3O/c1-21(9-12-2-5-14(19)6-3-12)11-15-8-17(23)22-10-13(18)4-7-16(22)20-15/h2-8,10H,9,11H2,1H3
InChIKeyYZLMGKGCUNLNKS-UHFFFAOYSA-N
XLogP3.12
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 18087800) is 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YZLMGKGCUNLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-21(9-12-2-5-14(19)6-3-12)11-15-8-17(23)22-10-13(18)4-7-16(22)20-15/h2-8,10H,9,11H2,1H3.
What are the key properties of 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 331.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18087800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).