8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine

C21H20N8O — CID 142765847

IUPAC8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine
SMILESCc1cnc(-c2nc3cnc(-c4cnn5ccccc45)nc3n2C2CCOCC2)[nH]1
InChIInChI=1S/C21H20N8O/c1-13-10-22-19(25-13)21-26-16-12-23-18(15-11-24-28-7-3-2-4-17(15)28)27-20(16)29(21)14-5-8-30-9-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,22,25)
InChIKeyHMLYCEQWDUUQSV-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.19
Rot. Bonds3

About 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine

8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine (PubChem CID 142765847) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine.

Molecular Properties

Compound Name8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine
PubChem CID142765847
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine
SMILESCc1cnc(-c2nc3cnc(-c4cnn5ccccc45)nc3n2C2CCOCC2)[nH]1
InChIInChI=1S/C21H20N8O/c1-13-10-22-19(25-13)21-26-16-12-23-18(15-11-24-28-7-3-2-4-17(15)28)27-20(16)29(21)14-5-8-30-9-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,22,25)
InChIKeyHMLYCEQWDUUQSV-UHFFFAOYSA-N
XLogP3.19
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine?
The IUPAC name of 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine (CID 142765847) is 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine.
What is the SMILES notation for 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine?
The canonical SMILES for 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine is Cc1cnc(-c2nc3cnc(-c4cnn5ccccc45)nc3n2C2CCOCC2)[nH]1.
What is the InChIKey of 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine?
The InChIKey is HMLYCEQWDUUQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-13-10-22-19(25-13)21-26-16-12-23-18(15-11-24-28-7-3-2-4-17(15)28)27-20(16)29(21)14-5-8-30-9-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,22,25).
What are the key properties of 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine?
8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine has a molecular weight of 400.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1H-imidazol-2-yl)-9-(oxan-4-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurine is sourced from PubChem (CID 142765847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).