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

C20H26N8OS — CID 176918948

IUPAC7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-[(3S)-thiolan-3-yl]purin-8-one;propane
SMILESCCC.Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CCSC1)c(=O)n2C
InChIInChI=1S/C17H18N8OS.C3H8/c1-10-5-14-19-9-20-24(14)7-12(10)21-16-18-6-13-15(22-16)25(17(26)23(13)2)11-3-4-27-8-11;1-3-2/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,21,22);3H2,1-2H3/t11-;/m0./s1
InChIKeyAIOGRWGOMGHGHY-MERQFXBCSA-N
MW426.55 g/mol
LogP3.32
Rot. Bonds3

About 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

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 (PubChem CID 176918948) has the molecular formula C20H26N8OS and a molecular weight of 426.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-[(3S)-thiolan-3-yl]purin-8-one;propane
PubChem CID176918948
Molecular FormulaC20H26N8OS
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC Name7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-[(3S)-thiolan-3-yl]purin-8-one;propane
SMILESCCC.Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CCSC1)c(=O)n2C
InChIInChI=1S/C17H18N8OS.C3H8/c1-10-5-14-19-9-20-24(14)7-12(10)21-16-18-6-13-15(22-16)25(17(26)23(13)2)11-3-4-27-8-11;1-3-2/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,21,22);3H2,1-2H3/t11-;/m0./s1
InChIKeyAIOGRWGOMGHGHY-MERQFXBCSA-N
XLogP3.32
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.32
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-[(3S)-thiolan-3-yl]purin-8-one;propane with MolForge

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Related Compounds

2-(4,5-difluoro-2-methylanilino)-7-methyl-9-(thiolan-3-yl)purin-8-one;propane
CID 176918891
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
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
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
3,5-dimethyl-6-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]-1,3-benzoxazol-2-one;propane
CID 176918889
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
2,6-dimethyl-5-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]-1,2-benzoxazol-3-one;propane
CID 176918981
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
2-fluoro-5-methyl-4-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]benzamide;propane
CID 176918940
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
9-[(4R)-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 176684558
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

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-[(3S)-thiolan-3-yl]purin-8-one;propane?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC.Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CCSC1)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-[(3S)-thiolan-3-yl]purin-8-one;propane?
The InChIKey is AIOGRWGOMGHGHY-MERQFXBCSA-N. The full InChI is InChI=1S/C17H18N8OS.C3H8/c1-10-5-14-19-9-20-24(14)7-12(10)21-16-18-6-13-15(22-16)25(17(26)23(13)2)11-3-4-27-8-11;1-3-2/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,21,22);3H2,1-2H3/t11-;/m0./s1.
What are the key properties of 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?
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 has a molecular weight of 426.55 g/mol, XLogP of 3.32, 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-[(3S)-thiolan-3-yl]purin-8-one;propane is sourced from PubChem (CID 176918948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).