5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one

C20H22N8O2 — CID 168999320

IUPAC5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)c(N1CCOCC1C)cc(=O)n2C
InChIInChI=1S/C20H22N8O2/c1-12-6-17-22-11-23-28(17)9-14(12)24-20-21-8-16-19(25-20)15(7-18(29)26(16)3)27-4-5-30-10-13(27)2/h6-9,11,13H,4-5,10H2,1-3H3,(H,21,24,25)
InChIKeyYRBKUFCYJJCEOA-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one

5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one (PubChem CID 168999320) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one
PubChem CID168999320
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)c(N1CCOCC1C)cc(=O)n2C
InChIInChI=1S/C20H22N8O2/c1-12-6-17-22-11-23-28(17)9-14(12)24-20-21-8-16-19(25-20)15(7-18(29)26(16)3)27-4-5-30-10-13(27)2/h6-9,11,13H,4-5,10H2,1-3H3,(H,21,24,25)
InChIKeyYRBKUFCYJJCEOA-UHFFFAOYSA-N
XLogP1.65
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one?
The IUPAC name of 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one (CID 168999320) is 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one?
The canonical SMILES for 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(N1CCOCC1C)cc(=O)n2C.
What is the InChIKey of 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one?
The InChIKey is YRBKUFCYJJCEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-12-6-17-22-11-23-28(17)9-14(12)24-20-21-8-16-19(25-20)15(7-18(29)26(16)3)27-4-5-30-10-13(27)2/h6-9,11,13H,4-5,10H2,1-3H3,(H,21,24,25).
What are the key properties of 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one?
5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one has a molecular weight of 406.45 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(3-methylmorpholin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 168999320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).