7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H17FN4O — CID 176681804

IUPAC7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CNCCN1Cc1cnc2ccc(F)cn2c1=O
InChIInChI=1S/C14H17FN4O/c1-10-6-16-4-5-18(10)8-11-7-17-13-3-2-12(15)9-19(13)14(11)20/h2-3,7,9-10,16H,4-6,8H2,1H3/t10-/m0/s1
InChIKeyINTSSVAJVZHUSX-JTQLQIEISA-N
MW276.31 g/mol
LogP0.63
Rot. Bonds2

About 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681804) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681804
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CNCCN1Cc1cnc2ccc(F)cn2c1=O
InChIInChI=1S/C14H17FN4O/c1-10-6-16-4-5-18(10)8-11-7-17-13-3-2-12(15)9-19(13)14(11)20/h2-3,7,9-10,16H,4-6,8H2,1H3/t10-/m0/s1
InChIKeyINTSSVAJVZHUSX-JTQLQIEISA-N
XLogP0.63
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681614
3-[(2,2-Dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681826
7-fluoro-3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681970
3-(Aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 115019286
4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120811566
4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811567
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120811998
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811999
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120813730
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120813731
4-oxo-N-(2,2,2-trifluoro-1-methylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 131901186
7-methyl-4-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 132972282

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 176681804) is 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@H]1CNCCN1Cc1cnc2ccc(F)cn2c1=O.
What is the InChIKey of 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is INTSSVAJVZHUSX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-6-16-4-5-18(10)8-11-7-17-13-3-2-12(15)9-19(13)14(11)20/h2-3,7,9-10,16H,4-6,8H2,1H3/t10-/m0/s1.
What are the key properties of 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 276.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).