7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H14BrF2N3O — CID 9368681

IUPAC7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C17H14BrF2N3O/c1-10(14-4-3-12(19)6-15(14)20)21-8-13-7-17(24)23-9-11(18)2-5-16(23)22-13/h2-7,9-10,21H,8H2,1H3/t10-/m1/s1
InChIKeyWYTLQDUUNLBDOE-SNVBAGLBSA-N
MW394.22 g/mol
LogP3.59
Rot. Bonds4

About 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9368681) has the molecular formula C17H14BrF2N3O and a molecular weight of 394.22 g/mol. Its IUPAC name is 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9368681
Molecular FormulaC17H14BrF2N3O
Molecular Weight394.22 g/mol
Exact Mass393.03
IUPAC Name7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C17H14BrF2N3O/c1-10(14-4-3-12(19)6-15(14)20)21-8-13-7-17(24)23-9-11(18)2-5-16(23)22-13/h2-7,9-10,21H,8H2,1H3/t10-/m1/s1
InChIKeyWYTLQDUUNLBDOE-SNVBAGLBSA-N
XLogP3.59
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]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

7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
7-chloro-2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92846184
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
2,6-dibromo-4-[[1-(2,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602836
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8905082
1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895275
2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 130209616

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 9368681) is 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(F)cc1F.
What is the InChIKey of 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WYTLQDUUNLBDOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14BrF2N3O/c1-10(14-4-3-12(19)6-15(14)20)21-8-13-7-17(24)23-9-11(18)2-5-16(23)22-13/h2-7,9-10,21H,8H2,1H3/t10-/m1/s1.
What are the key properties of 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 394.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9368681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).