3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one

C23H26N8O2 — CID 66958941

IUPAC3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(OCCc4cn[nH]n4)n3)cc2)CC1
InChIInChI=1S/C23H26N8O2/c1-29-8-10-31(11-9-29)18-5-3-16(4-6-18)19-13-20-21(23(32)30(2)15-24-20)22(26-19)33-12-7-17-14-25-28-27-17/h3-6,13-15H,7-12H2,1-2H3,(H,25,27,28)
InChIKeyZVZWPQLRVSAAGQ-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.49
Rot. Bonds6

About 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958941) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958941
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(OCCc4cn[nH]n4)n3)cc2)CC1
InChIInChI=1S/C23H26N8O2/c1-29-8-10-31(11-9-29)18-5-3-16(4-6-18)19-13-20-21(23(32)30(2)15-24-20)22(26-19)33-12-7-17-14-25-28-27-17/h3-6,13-15H,7-12H2,1-2H3,(H,25,27,28)
InChIKeyZVZWPQLRVSAAGQ-UHFFFAOYSA-N
XLogP1.49
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]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-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one (CID 66958941) is 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one is CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(OCCc4cn[nH]n4)n3)cc2)CC1.
What is the InChIKey of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZVZWPQLRVSAAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-29-8-10-31(11-9-29)18-5-3-16(4-6-18)19-13-20-21(23(32)30(2)15-24-20)22(26-19)33-12-7-17-14-25-28-27-17/h3-6,13-15H,7-12H2,1-2H3,(H,25,27,28).
What are the key properties of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 446.52 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).