7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C20H20Cl2N4O — CID 2460244

IUPAC7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cn2c(=O)cc(CN3CCN(c4ccccc4)CC3)nc2c1Cl
InChIInChI=1S/C20H20Cl2N4O/c1-14-17(21)13-26-18(27)11-15(23-20(26)19(14)22)12-24-7-9-25(10-8-24)16-5-3-2-4-6-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyGFYXGKDVJJHMTA-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.63
Rot. Bonds3

About 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2460244) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2460244
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cn2c(=O)cc(CN3CCN(c4ccccc4)CC3)nc2c1Cl
InChIInChI=1S/C20H20Cl2N4O/c1-14-17(21)13-26-18(27)11-15(23-20(26)19(14)22)12-24-7-9-25(10-8-24)16-5-3-2-4-6-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyGFYXGKDVJJHMTA-UHFFFAOYSA-N
XLogP3.63
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 2460244) is 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1c(Cl)cn2c(=O)cc(CN3CCN(c4ccccc4)CC3)nc2c1Cl.
What is the InChIKey of 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GFYXGKDVJJHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-14-17(21)13-26-18(27)11-15(23-20(26)19(14)22)12-24-7-9-25(10-8-24)16-5-3-2-4-6-16/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 403.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2460244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).