8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one

C21H24N8O2 — CID 176845867

IUPAC8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
InChIInChI=1S/C21H24N8O2/c1-13-7-16-23-12-24-29(16)9-14(13)25-19-22-8-15-18(26-19)28(10-17(30)27(15)2)20-3-5-21(31,11-20)6-4-20/h7-9,12,31H,3-6,10-11H2,1-2H3,(H,22,25,26)
InChIKeyTXGXVGZVOFHZBI-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.80
Rot. Bonds3

About 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one

8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one (PubChem CID 176845867) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one.

Molecular Properties

Compound Name8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one
PubChem CID176845867
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
InChIInChI=1S/C21H24N8O2/c1-13-7-16-23-12-24-29(16)9-14(13)25-19-22-8-15-18(26-19)28(10-17(30)27(15)2)20-3-5-21(31,11-20)6-4-20/h7-9,12,31H,3-6,10-11H2,1-2H3,(H,22,25,26)
InChIKeyTXGXVGZVOFHZBI-UHFFFAOYSA-N
XLogP1.80
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one?
The IUPAC name of 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one (CID 176845867) is 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one.
What is the SMILES notation for 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one?
The canonical SMILES for 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C.
What is the InChIKey of 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one?
The InChIKey is TXGXVGZVOFHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-13-7-16-23-12-24-29(16)9-14(13)25-19-22-8-15-18(26-19)28(10-17(30)27(15)2)20-3-5-21(31,11-20)6-4-20/h7-9,12,31H,3-6,10-11H2,1-2H3,(H,22,25,26).
What are the key properties of 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one?
8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one has a molecular weight of 420.48 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one is sourced from PubChem (CID 176845867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).