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

C22H23N7O3 — CID 66959710

IUPAC3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]n3)c2c1=O
InChIInChI=1S/C22H23N7O3/c1-28-14-23-19-12-18(15-2-4-17(5-3-15)29-7-10-31-11-8-29)25-21(20(19)22(28)30)32-9-6-16-13-24-27-26-16/h2-5,12-14H,6-11H2,1H3,(H,24,26,27)
InChIKeyGGWLXUWXMSJHQS-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.57
Rot. Bonds6

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

3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959710) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959710
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]n3)c2c1=O
InChIInChI=1S/C22H23N7O3/c1-28-14-23-19-12-18(15-2-4-17(5-3-15)29-7-10-31-11-8-29)25-21(20(19)22(28)30)32-9-6-16-13-24-27-26-16/h2-5,12-14H,6-11H2,1H3,(H,24,26,27)
InChIKeyGGWLXUWXMSJHQS-UHFFFAOYSA-N
XLogP1.57
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one (CID 66959710) is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]n3)c2c1=O.
What is the InChIKey of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GGWLXUWXMSJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-28-14-23-19-12-18(15-2-4-17(5-3-15)29-7-10-31-11-8-29)25-21(20(19)22(28)30)32-9-6-16-13-24-27-26-16/h2-5,12-14H,6-11H2,1H3,(H,24,26,27).
What are the key properties of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 433.47 g/mol, XLogP of 1.57, 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-morpholin-4-ylphenyl)-5-[2-(2H-triazol-4-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).