7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one

C20H22N8O2 — CID 164544811

IUPAC7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOC3(CC3)C1)c(=O)n2C
InChIInChI=1S/C20H22N8O2/c1-12-7-16-22-11-23-27(16)10-14(12)24-18-21-9-15-17(25-18)28(19(29)26(15)2)13-3-6-30-20(8-13)4-5-20/h7,9-11,13H,3-6,8H2,1-2H3,(H,21,24,25)
InChIKeyMKXVHACLUHCFNN-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.11
Rot. Bonds3

About 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one

7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one (PubChem CID 164544811) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one.

Molecular Properties

Compound Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one
PubChem CID164544811
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOC3(CC3)C1)c(=O)n2C
InChIInChI=1S/C20H22N8O2/c1-12-7-16-22-11-23-27(16)10-14(12)24-18-21-9-15-17(25-18)28(19(29)26(15)2)13-3-6-30-20(8-13)4-5-20/h7,9-11,13H,3-6,8H2,1-2H3,(H,21,24,25)
InChIKeyMKXVHACLUHCFNN-UHFFFAOYSA-N
XLogP2.11
TPSA104.16 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one?
The IUPAC name of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one (CID 164544811) is 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one.
What is the SMILES notation for 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one?
The canonical SMILES for 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOC3(CC3)C1)c(=O)n2C.
What is the InChIKey of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one?
The InChIKey is MKXVHACLUHCFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-12-7-16-22-11-23-27(16)10-14(12)24-18-21-9-15-17(25-18)28(19(29)26(15)2)13-3-6-30-20(8-13)4-5-20/h7,9-11,13H,3-6,8H2,1-2H3,(H,21,24,25).
What are the key properties of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one?
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one has a molecular weight of 406.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one is sourced from PubChem (CID 164544811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).