7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H16ClF2N3O — CID 92784199

IUPAC7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C18H16ClF2N3O/c1-11(12-3-5-15(20)16(21)7-12)23(2)10-14-8-18(25)24-9-13(19)4-6-17(24)22-14/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyJLPKQZXURMRELX-LLVKDONJSA-N
MW363.80 g/mol
LogP3.82
Rot. Bonds4

About 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92784199) has the molecular formula C18H16ClF2N3O and a molecular weight of 363.80 g/mol. Its IUPAC name is 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92784199
Molecular FormulaC18H16ClF2N3O
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C18H16ClF2N3O/c1-11(12-3-5-15(20)16(21)7-12)23(2)10-14-8-18(25)24-9-13(19)4-6-17(24)22-14/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyJLPKQZXURMRELX-LLVKDONJSA-N
XLogP3.82
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-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-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92784199) is 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JLPKQZXURMRELX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClF2N3O/c1-11(12-3-5-15(20)16(21)7-12)23(2)10-14-8-18(25)24-9-13(19)4-6-17(24)22-14/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 363.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92784199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).