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

C23H24N8O2 — CID 156571209

IUPAC7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC4CC(C1)C(=O)C(C4)C3)c(=O)n2C
InChIInChI=1S/C23H24N8O2/c1-12-3-18-25-11-26-30(18)10-16(12)27-21-24-9-17-20(28-21)31(22(33)29(17)2)23-6-13-4-14(7-23)19(32)15(5-13)8-23/h3,9-11,13-15H,4-8H2,1-2H3,(H,24,27,28)
InChIKeySADFQZLBHHKCMF-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.33
Rot. Bonds3

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

7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one (PubChem CID 156571209) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one.

Molecular Properties

Compound Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one
PubChem CID156571209
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC4CC(C1)C(=O)C(C4)C3)c(=O)n2C
InChIInChI=1S/C23H24N8O2/c1-12-3-18-25-11-26-30(18)10-16(12)27-21-24-9-17-20(28-21)31(22(33)29(17)2)23-6-13-4-14(7-23)19(32)15(5-13)8-23/h3,9-11,13-15H,4-8H2,1-2H3,(H,24,27,28)
InChIKeySADFQZLBHHKCMF-UHFFFAOYSA-N
XLogP2.33
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

9-(1-adamantyl)-2-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7-methylpurin-8-one
CID 167255418
9-(4-methoxy-1-tricyclo[3.3.1.03,7]nonanyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 156571299
9-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 156576529
2-[3-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]-1-bicyclo[1.1.1]pentanyl]acetonitrile
CID 176845877
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one
CID 172691208
4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide
CID 162680352
9-(3-hydroxy-3-methylcyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 156576424
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
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-[(3S)-thiolan-3-yl]purin-8-one;propane
CID 176918948
4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]cyclohexane-1-carbonitrile
CID 156576393
2-[(4R)-4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]-2-bicyclo[3.1.1]heptanyl]acetonitrile
CID 176919178
9-[(4S)-3,3-difluoro-1-propan-2-ylpiperidin-4-yl]-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 176684559

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-oxo-1-adamantyl)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-oxo-1-adamantyl)purin-8-one (CID 156571209) is 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)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-oxo-1-adamantyl)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-oxo-1-adamantyl)purin-8-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC4CC(C1)C(=O)C(C4)C3)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-oxo-1-adamantyl)purin-8-one?
The InChIKey is SADFQZLBHHKCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-12-3-18-25-11-26-30(18)10-16(12)27-21-24-9-17-20(28-21)31(22(33)29(17)2)23-6-13-4-14(7-23)19(32)15(5-13)8-23/h3,9-11,13-15H,4-8H2,1-2H3,(H,24,27,28).
What are the key properties of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one?
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxo-1-adamantyl)purin-8-one has a molecular weight of 444.50 g/mol, XLogP of 2.33, 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-oxo-1-adamantyl)purin-8-one is sourced from PubChem (CID 156571209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).