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

C20H23N7O2 — CID 155545258

IUPAC9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1c(Nc2ncc3c(n2)n(C2CCC(O)CC2)c(=O)n3C)ccc2nccn12
InChIInChI=1S/C20H23N7O2/c1-12-15(7-8-17-21-9-10-26(12)17)23-19-22-11-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24)
InChIKeyAUEPFFWQHMGXEB-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.31
Rot. Bonds3

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

9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one (PubChem CID 155545258) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
PubChem CID155545258
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1c(Nc2ncc3c(n2)n(C2CCC(O)CC2)c(=O)n3C)ccc2nccn12
InChIInChI=1S/C20H23N7O2/c1-12-15(7-8-17-21-9-10-26(12)17)23-19-22-11-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24)
InChIKeyAUEPFFWQHMGXEB-UHFFFAOYSA-N
XLogP2.31
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one (CID 155545258) is 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one is Cc1c(Nc2ncc3c(n2)n(C2CCC(O)CC2)c(=O)n3C)ccc2nccn12.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one?
The InChIKey is AUEPFFWQHMGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-12-15(7-8-17-21-9-10-26(12)17)23-19-22-11-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24).
What are the key properties of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one?
9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one has a molecular weight of 393.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one is sourced from PubChem (CID 155545258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).