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

C18H23ClN6O — CID 120870027

IUPAC9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3CCNCC3c3nccn3C)nc12.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-13-4-3-7-24-16(25)10-14(21-17(13)24)12-23-9-5-19-11-15(23)18-20-6-8-22(18)2;/h3-4,6-8,10,15,19H,5,9,11-12H2,1-2H3;1H
InChIKeyBDIVHKBGRWZTES-UHFFFAOYSA-N
MW374.88 g/mol
LogP1.30
Rot. Bonds3

About 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 120870027) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID120870027
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3CCNCC3c3nccn3C)nc12.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-13-4-3-7-24-16(25)10-14(21-17(13)24)12-23-9-5-19-11-15(23)18-20-6-8-22(18)2;/h3-4,6-8,10,15,19H,5,9,11-12H2,1-2H3;1H
InChIKeyBDIVHKBGRWZTES-UHFFFAOYSA-N
XLogP1.30
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-methyl-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

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
4-ethyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one;hydrochloride
CID 137096156
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
6-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 120911711
9-methyl-2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95283627

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 120870027) is 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cccn2c(=O)cc(CN3CCNCC3c3nccn3C)nc12.Cl.
What is the InChIKey of 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is BDIVHKBGRWZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O.ClH/c1-13-4-3-7-24-16(25)10-14(21-17(13)24)12-23-9-5-19-11-15(23)18-20-6-8-22(18)2;/h3-4,6-8,10,15,19H,5,9,11-12H2,1-2H3;1H.
What are the key properties of 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 374.88 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 120870027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).