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

C23H26N8O2 — CID 156571299

IUPAC9-(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
SMILESCOC1C2CC3CC(n4c(=O)n(C)c5cnc(Nc6cn7ncnc7cc6C)nc54)(C2)CC31
InChIInChI=1S/C23H26N8O2/c1-12-4-18-25-11-26-30(18)10-16(12)27-21-24-9-17-20(28-21)31(22(32)29(17)2)23-6-13-5-14(7-23)19(33-3)15(13)8-23/h4,9-11,13-15,19H,5-8H2,1-3H3,(H,24,27,28)
InChIKeyRQLLRZGYSRLHFR-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.38
Rot. Bonds4

About 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

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 (PubChem CID 156571299) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID156571299
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name9-(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
SMILESCOC1C2CC3CC(n4c(=O)n(C)c5cnc(Nc6cn7ncnc7cc6C)nc54)(C2)CC31
InChIInChI=1S/C23H26N8O2/c1-12-4-18-25-11-26-30(18)10-16(12)27-21-24-9-17-20(28-21)31(22(32)29(17)2)23-6-13-5-14(7-23)19(33-3)15(13)8-23/h4,9-11,13-15,19H,5-8H2,1-3H3,(H,24,27,28)
InChIKeyRQLLRZGYSRLHFR-UHFFFAOYSA-N
XLogP2.38
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
9-(1-adamantyl)-2-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7-methylpurin-8-one
CID 167255418
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
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-(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
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-(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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1C2CC3CC(n4c(=O)n(C)c5cnc(Nc6cn7ncnc7cc6C)nc54)(C2)CC31.
What is the InChIKey of 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?
The InChIKey is RQLLRZGYSRLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-12-4-18-25-11-26-30(18)10-16(12)27-21-24-9-17-20(28-21)31(22(32)29(17)2)23-6-13-5-14(7-23)19(33-3)15(13)8-23/h4,9-11,13-15,19H,5-8H2,1-3H3,(H,24,27,28).
What are the key properties of 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?
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 has a molecular weight of 446.52 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).