7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H17BrFN3O — CID 8905082

IUPAC7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(Cc2ccc(F)cc2)C2CC2)nc2ccc(Br)cn12
InChIInChI=1S/C19H17BrFN3O/c20-14-3-8-18-22-16(9-19(25)24(18)11-14)12-23(17-6-7-17)10-13-1-4-15(21)5-2-13/h1-5,8-9,11,17H,6-7,10,12H2
InChIKeyFBBPEPMFIFOAHY-UHFFFAOYSA-N
MW402.27 g/mol
LogP3.76
Rot. Bonds5

About 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8905082) has the molecular formula C19H17BrFN3O and a molecular weight of 402.27 g/mol. Its IUPAC name is 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8905082
Molecular FormulaC19H17BrFN3O
Molecular Weight402.27 g/mol
Exact Mass401.05
IUPAC Name7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(Cc2ccc(F)cc2)C2CC2)nc2ccc(Br)cn12
InChIInChI=1S/C19H17BrFN3O/c20-14-3-8-18-22-16(9-19(25)24(18)11-14)12-23(17-6-7-17)10-13-1-4-15(21)5-2-13/h1-5,8-9,11,17H,6-7,10,12H2
InChIKeyFBBPEPMFIFOAHY-UHFFFAOYSA-N
XLogP3.76
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9028174
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8710973
7-bromo-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17471416
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
7-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461
7-chloro-2-[[cyclopropyl(4-hydroxybutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111431994
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclopropanecarboxylate
CID 7863227
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-chlorophenyl)methyl]-methylazanium
CID 9040496
7-bromo-2-[[methyl(2-phenoxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8797101
7-bromo-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115631705

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8905082) is 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN(Cc2ccc(F)cc2)C2CC2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FBBPEPMFIFOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O/c20-14-3-8-18-22-16(9-19(25)24(18)11-14)12-23(17-6-7-17)10-13-1-4-15(21)5-2-13/h1-5,8-9,11,17H,6-7,10,12H2.
What are the key properties of 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 402.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8905082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).