2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C23H24FN5O — CID 56539814

IUPAC2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc(=O)n2c1
InChIInChI=1S/C23H24FN5O/c1-16-5-10-22-25-20(13-23(30)29(22)14-16)15-28(2)11-3-4-19-12-21(27-26-19)17-6-8-18(24)9-7-17/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,26,27)
InChIKeyVKYHZZDCCOQXGQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.60
Rot. Bonds7

About 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56539814) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56539814
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc(=O)n2c1
InChIInChI=1S/C23H24FN5O/c1-16-5-10-22-25-20(13-23(30)29(22)14-16)15-28(2)11-3-4-19-12-21(27-26-19)17-6-8-18(24)9-7-17/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,26,27)
InChIKeyVKYHZZDCCOQXGQ-UHFFFAOYSA-N
XLogP3.60
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 56539814) is 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc(=O)n2c1.
What is the InChIKey of 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VKYHZZDCCOQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-5-10-22-25-20(13-23(30)29(22)14-16)15-28(2)11-3-4-19-12-21(27-26-19)17-6-8-18(24)9-7-17/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 405.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).