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

C14H17FN4O — CID 176681855

IUPAC7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(Cc2cnc3ccc(F)cn3c2=O)CC1
InChIInChI=1S/C14H17FN4O/c1-17-4-6-18(7-5-17)9-11-8-16-13-3-2-12(15)10-19(13)14(11)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeyNOEVNJYKWVHOEK-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.58
Rot. Bonds2

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

7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681855) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681855
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(Cc2cnc3ccc(F)cn3c2=O)CC1
InChIInChI=1S/C14H17FN4O/c1-17-4-6-18(7-5-17)9-11-8-16-13-3-2-12(15)10-19(13)14(11)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeyNOEVNJYKWVHOEK-UHFFFAOYSA-N
XLogP0.58
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 176681855) is 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CN1CCN(Cc2cnc3ccc(F)cn3c2=O)CC1.
What is the InChIKey of 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NOEVNJYKWVHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-17-4-6-18(7-5-17)9-11-8-16-13-3-2-12(15)10-19(13)14(11)20/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 276.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).