2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C17H21ClN6O — CID 120869739

IUPAC2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H20N6O.ClH/c1-21-8-6-19-17(21)14-11-18-5-9-22(14)12-13-10-16(24)23-7-3-2-4-15(23)20-13;/h2-4,6-8,10,14,18H,5,9,11-12H2,1H3;1H
InChIKeyZVOJTJHBJJKMHP-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.00
Rot. Bonds3

About 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 120869739) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID120869739
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H20N6O.ClH/c1-21-8-6-19-17(21)14-11-18-5-9-22(14)12-13-10-16(24)23-7-3-2-4-15(23)20-13;/h2-4,6-8,10,14,18H,5,9,11-12H2,1H3;1H
InChIKeyZVOJTJHBJJKMHP-UHFFFAOYSA-N
XLogP1.00
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120870027
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912501
4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride
CID 137096156
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 120869739) is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is ZVOJTJHBJJKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.ClH/c1-21-8-6-19-17(21)14-11-18-5-9-22(14)12-13-10-16(24)23-7-3-2-4-15(23)20-13;/h2-4,6-8,10,14,18H,5,9,11-12H2,1H3;1H.
What are the key properties of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 120869739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).