2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C16H19N5O — CID 142511099

IUPAC2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C/C(=C\C)c1cc(=O)n2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/C16H19N5O/c1-2-12(10-17)14-9-16(22)21-11-13(3-4-15(21)19-14)20-7-5-18-6-8-20/h2-4,9-11,17-18H,5-8H2,1H3/b12-2+,17-10+
InChIKeyRPLVWKXECHZFBV-MQZORURESA-N
MW297.36 g/mol
LogP1.16
Rot. Bonds3

About 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511099) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511099
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C/C(=C\C)c1cc(=O)n2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/C16H19N5O/c1-2-12(10-17)14-9-16(22)21-11-13(3-4-15(21)19-14)20-7-5-18-6-8-20/h2-4,9-11,17-18H,5-8H2,1H3/b12-2+,17-10+
InChIKeyRPLVWKXECHZFBV-MQZORURESA-N
XLogP1.16
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711544
7-[(3S)-3-methylpiperazin-1-yl]-2-phenylpyrido[1,2-a]pyrimidin-4-one;2-phenyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 157433400
2-[(2E,4Z)-6-(dimethylamino)hepta-2,4,6-trien-3-yl]-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 142510988
2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374099
7-(3,4-dimethylpiperazin-1-yl)-2-[(2E,4E)-5-ethyl-6-methylocta-2,4-dien-3-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511460
2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 162119615
2-[(2Z,7Z,9Z)-8,11-dimethyl-1-azacycloundeca-2,7,9-trien-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511402
[(Z)-1-[7-(4,7-diazaspiro[2.5]octan-7-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-(1,5-dimethylimidazol-2-yl)but-2-enylidene]azanium
CID 170702469
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
7-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-2-(3-propanimidoyl-1H-pyrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 163761918
7-(4-methyl-1,4-diazepan-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 159637262
7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122703251

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 142511099) is 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is [H]/N=C/C(=C\C)c1cc(=O)n2cc(N3CCNCC3)ccc2n1.
What is the InChIKey of 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RPLVWKXECHZFBV-MQZORURESA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-12(10-17)14-9-16(22)21-11-13(3-4-15(21)19-14)20-7-5-18-6-8-20/h2-4,9-11,17-18H,5-8H2,1H3/b12-2+,17-10+.
What are the key properties of 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).