9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one

C20H26N8O2 — CID 162773303

IUPAC9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCOC1CCC(n2c(=O)n(C)c3cnc(NC4=CN5NC=NC5C=C4C)nc32)CC1
InChIInChI=1S/C20H26N8O2/c1-12-8-17-22-11-23-27(17)10-15(12)24-19-21-9-16-18(25-19)28(20(29)26(16)2)13-4-6-14(30-3)7-5-13/h8-11,13-14,17H,4-7H2,1-3H3,(H,22,23)(H,21,24,25)
InChIKeyGKSZUGWXCJFUQX-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.65
Rot. Bonds4

About 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one

9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (PubChem CID 162773303) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.

Molecular Properties

Compound Name9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
PubChem CID162773303
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCOC1CCC(n2c(=O)n(C)c3cnc(NC4=CN5NC=NC5C=C4C)nc32)CC1
InChIInChI=1S/C20H26N8O2/c1-12-8-17-22-11-23-27(17)10-15(12)24-19-21-9-16-18(25-19)28(20(29)26(16)2)13-4-6-14(30-3)7-5-13/h8-11,13-14,17H,4-7H2,1-3H3,(H,22,23)(H,21,24,25)
InChIKeyGKSZUGWXCJFUQX-UHFFFAOYSA-N
XLogP1.65
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-methoxy-3-methyl-2-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 156889807
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
2-[[9-(4-cyanocyclohexyl)-7-methyl-8-oxopurin-2-yl]amino]-3-methylbenzonitrile
CID 175712462
9-(4-ethylcyclohexyl)-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]purin-8-one
CID 176919124
8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 177341126
7-methyl-2-[[4-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]amino]-9-(oxan-4-yl)purin-8-one
CID 164903320
9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-7-methylpurin-8-one
CID 67159329
ethyl 4-[7-methyl-2-[(6-methyl-2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)amino]-8-oxopurin-9-yl]adamantane-1-carboxylate
CID 166503998
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593
ethane;methyl 2-fluoro-5-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzoate
CID 178120200
2-[(6-deuteriooxy-4-methyl-3-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 168776530

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The IUPAC name of 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (CID 162773303) is 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.
What is the SMILES notation for 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The canonical SMILES for 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is COC1CCC(n2c(=O)n(C)c3cnc(NC4=CN5NC=NC5C=C4C)nc32)CC1.
What is the InChIKey of 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The InChIKey is GKSZUGWXCJFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-12-8-17-22-11-23-27(17)10-15(12)24-19-21-9-16-18(25-19)28(20(29)26(16)2)13-4-6-14(30-3)7-5-13/h8-11,13-14,17H,4-7H2,1-3H3,(H,22,23)(H,21,24,25).
What are the key properties of 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one has a molecular weight of 410.48 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxycyclohexyl)-7-methyl-2-[(7-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is sourced from PubChem (CID 162773303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).