3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one

C24H30N6O2 — CID 66959498

IUPAC3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCC4CCOC4)n3)cc2)CC1
InChIInChI=1S/C24H30N6O2/c1-28-8-10-30(11-9-28)19-5-3-18(4-6-19)20-13-21-22(24(31)29(2)16-26-21)23(27-20)25-14-17-7-12-32-15-17/h3-6,13,16-17H,7-12,14-15H2,1-2H3,(H,25,27)
InChIKeyOQOFYJNBWUPARM-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.20
Rot. Bonds5

About 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959498) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959498
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCC4CCOC4)n3)cc2)CC1
InChIInChI=1S/C24H30N6O2/c1-28-8-10-30(11-9-28)19-5-3-18(4-6-19)20-13-21-22(24(31)29(2)16-26-21)23(27-20)25-14-17-7-12-32-15-17/h3-6,13,16-17H,7-12,14-15H2,1-2H3,(H,25,27)
InChIKeyOQOFYJNBWUPARM-UHFFFAOYSA-N
XLogP2.20
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]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 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959498) is 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one is CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCC4CCOC4)n3)cc2)CC1.
What is the InChIKey of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OQOFYJNBWUPARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28-8-10-30(11-9-28)19-5-3-18(4-6-19)20-13-21-22(24(31)29(2)16-26-21)23(27-20)25-14-17-7-12-32-15-17/h3-6,13,16-17H,7-12,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 434.54 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-3-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).