7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one

C18H18N6O2 — CID 67123670

IUPAC7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
SMILESCn1c(=O)n(C2CCOCC2)c2nc(-c3cnn4ccccc34)ncc21
InChIInChI=1S/C18H18N6O2/c1-22-15-11-19-16(13-10-20-23-7-3-2-4-14(13)23)21-17(15)24(18(22)25)12-5-8-26-9-6-12/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyIMIVECREAQMYME-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.80
Rot. Bonds2

About 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one

7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one (PubChem CID 67123670) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one.

Molecular Properties

Compound Name7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
PubChem CID67123670
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
SMILESCn1c(=O)n(C2CCOCC2)c2nc(-c3cnn4ccccc34)ncc21
InChIInChI=1S/C18H18N6O2/c1-22-15-11-19-16(13-10-20-23-7-3-2-4-14(13)23)21-17(15)24(18(22)25)12-5-8-26-9-6-12/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyIMIVECREAQMYME-UHFFFAOYSA-N
XLogP1.80
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
The IUPAC name of 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one (CID 67123670) is 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one.
What is the SMILES notation for 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
The canonical SMILES for 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one is Cn1c(=O)n(C2CCOCC2)c2nc(-c3cnn4ccccc34)ncc21.
What is the InChIKey of 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
The InChIKey is IMIVECREAQMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-22-15-11-19-16(13-10-20-23-7-3-2-4-14(13)23)21-17(15)24(18(22)25)12-5-8-26-9-6-12/h2-4,7,10-12H,5-6,8-9H2,1H3.
What are the key properties of 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one?
7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one has a molecular weight of 350.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one is sourced from PubChem (CID 67123670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).