7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C23H22Cl2N6O2 — CID 55627437

IUPAC7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C23H22Cl2N6O2/c1-15-10-28(13-18-8-22(32)30-11-16(24)2-4-20(30)26-18)6-7-29(15)14-19-9-23(33)31-12-17(25)3-5-21(31)27-19/h2-5,8-9,11-12,15H,6-7,10,13-14H2,1H3
InChIKeySQUYCZQUXLWLDV-UHFFFAOYSA-N
MW485.38 g/mol
LogP2.72
Rot. Bonds4

About 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55627437) has the molecular formula C23H22Cl2N6O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55627437
Molecular FormulaC23H22Cl2N6O2
Molecular Weight485.38 g/mol
Exact Mass484.12
IUPAC Name7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C23H22Cl2N6O2/c1-15-10-28(13-18-8-22(32)30-11-16(24)2-4-20(30)26-18)6-7-29(15)14-19-9-23(33)31-12-17(25)3-5-21(31)27-19/h2-5,8-9,11-12,15H,6-7,10,13-14H2,1H3
InChIKeySQUYCZQUXLWLDV-UHFFFAOYSA-N
XLogP2.72
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55627437) is 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SQUYCZQUXLWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O2/c1-15-10-28(13-18-8-22(32)30-11-16(24)2-4-20(30)26-18)6-7-29(15)14-19-9-23(33)31-12-17(25)3-5-21(31)27-19/h2-5,8-9,11-12,15H,6-7,10,13-14H2,1H3.
What are the key properties of 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 485.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55627437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).