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

C25H36N4O — CID 142511460

IUPAC7-(3,4-dimethylpiperazin-1-yl)-2-[(2E,4E)-5-ethyl-6-methylocta-2,4-dien-3-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESC/C=C(\C=C(/CC)C(C)CC)c1cc(=O)n2cc(N3CCN(C)C(C)C3)ccc2n1
InChIInChI=1S/C25H36N4O/c1-7-18(4)20(8-2)14-21(9-3)23-15-25(30)29-17-22(10-11-24(29)26-23)28-13-12-27(6)19(5)16-28/h9-11,14-15,17-19H,7-8,12-13,16H2,1-6H3/b20-14+,21-9+
InChIKeyNKNFAJMIZKGDOM-GTJSNYRPSA-N
MW408.59 g/mol
LogP4.62
Rot. Bonds6

About 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

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 (PubChem CID 142511460) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(3,4-dimethylpiperazin-1-yl)-2-[(2E,4E)-5-ethyl-6-methylocta-2,4-dien-3-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID142511460
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name7-(3,4-dimethylpiperazin-1-yl)-2-[(2E,4E)-5-ethyl-6-methylocta-2,4-dien-3-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESC/C=C(\C=C(/CC)C(C)CC)c1cc(=O)n2cc(N3CCN(C)C(C)C3)ccc2n1
InChIInChI=1S/C25H36N4O/c1-7-18(4)20(8-2)14-21(9-3)23-15-25(30)29-17-22(10-11-24(29)26-23)28-13-12-27(6)19(5)16-28/h9-11,14-15,17-19H,7-8,12-13,16H2,1-6H3/b20-14+,21-9+
InChIKeyNKNFAJMIZKGDOM-GTJSNYRPSA-N
XLogP4.62
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4Z)-5-ethyl-6-methylhepta-2,4,6-trien-3-yl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 142511316
2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511099
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
2-[(2Z)-4-[[(Z)-2,3-dimethylpent-1-enyl]amino]penta-2,4-dienimidoyl]-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511512
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 123942894
4-(3,4-dimethylpiperazin-1-yl)benzaldehyde
CID 63609039
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
5-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488609
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
6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione
CID 81309126
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
CID 122703208

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(\C=C(/CC)C(C)CC)c1cc(=O)n2cc(N3CCN(C)C(C)C3)ccc2n1.
What is the InChIKey of 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?
The InChIKey is NKNFAJMIZKGDOM-GTJSNYRPSA-N. The full InChI is InChI=1S/C25H36N4O/c1-7-18(4)20(8-2)14-21(9-3)23-15-25(30)29-17-22(10-11-24(29)26-23)28-13-12-27(6)19(5)16-28/h9-11,14-15,17-19H,7-8,12-13,16H2,1-6H3/b20-14+,21-9+.
What are the key properties of 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?
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 has a molecular weight of 408.59 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142511460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).