2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C21H19N7O — CID 163357268

IUPAC2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc2ccccn12
InChIInChI=1S/C21H19N7O/c29-20-14-19(25-18-5-1-2-9-28(18)20)26-10-12-27(13-11-26)21-23-8-6-17(24-21)16-4-3-7-22-15-16/h1-9,14-15H,10-13H2
InChIKeyGIOBCNUOXQPPIA-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.87
Rot. Bonds3

About 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 163357268) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID163357268
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc2ccccn12
InChIInChI=1S/C21H19N7O/c29-20-14-19(25-18-5-1-2-9-28(18)20)26-10-12-27(13-11-26)21-23-8-6-17(24-21)16-4-3-7-22-15-16/h1-9,14-15H,10-13H2
InChIKeyGIOBCNUOXQPPIA-UHFFFAOYSA-N
XLogP1.87
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908
2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrido[1,2-a]pyrimidin-4-one
CID 91642906
4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
CID 163356780
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
CID 163352347
2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 175650790
1-methylsulfonyl-4-(4-pyridin-3-ylpyrimidin-2-yl)-1,4-diazepane
CID 72893326
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one
CID 72861594
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 163352467
1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 163357268) is 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GIOBCNUOXQPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-20-14-19(25-18-5-1-2-9-28(18)20)26-10-12-27(13-11-26)21-23-8-6-17(24-21)16-4-3-7-22-15-16/h1-9,14-15H,10-13H2.
What are the key properties of 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 385.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163357268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).