7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one

C17H19FN6O — CID 126657414

IUPAC7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CNCC(Cn2cc(-c3cc(=O)n4cc(F)ccc4n3)cn2)N1
InChIInChI=1S/C17H19FN6O/c1-11-5-19-7-14(21-11)10-23-8-12(6-20-23)15-4-17(25)24-9-13(18)2-3-16(24)22-15/h2-4,6,8-9,11,14,19,21H,5,7,10H2,1H3/t11-,14?/m0/s1
InChIKeyAASLXLLITQHZFB-ZSOXZCCMSA-N
MW342.38 g/mol
LogP0.65
Rot. Bonds3

About 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126657414) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126657414
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CNCC(Cn2cc(-c3cc(=O)n4cc(F)ccc4n3)cn2)N1
InChIInChI=1S/C17H19FN6O/c1-11-5-19-7-14(21-11)10-23-8-12(6-20-23)15-4-17(25)24-9-13(18)2-3-16(24)22-15/h2-4,6,8-9,11,14,19,21H,5,7,10H2,1H3/t11-,14?/m0/s1
InChIKeyAASLXLLITQHZFB-ZSOXZCCMSA-N
XLogP0.65
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one (CID 126657414) is 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one is C[C@H]1CNCC(Cn2cc(-c3cc(=O)n4cc(F)ccc4n3)cn2)N1.
What is the InChIKey of 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AASLXLLITQHZFB-ZSOXZCCMSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-11-5-19-7-14(21-11)10-23-8-12(6-20-23)15-4-17(25)24-9-13(18)2-3-16(24)22-15/h2-4,6,8-9,11,14,19,21H,5,7,10H2,1H3/t11-,14?/m0/s1.
What are the key properties of 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 342.38 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[1-[[(6S)-6-methylpiperazin-2-yl]methyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126657414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).