5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one

C10H9ClN6O2 — CID 154606836

IUPAC5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nnc(CCn2ncc3nc(Cl)[nH]c(=O)c32)o1
InChIInChI=1S/C10H9ClN6O2/c1-5-15-16-7(19-5)2-3-17-8-6(4-12-17)13-10(11)14-9(8)18/h4H,2-3H2,1H3,(H,13,14,18)
InChIKeyVVKCPLVJQHYSSK-UHFFFAOYSA-N
MW280.68 g/mol
LogP0.71
Rot. Bonds3

About 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 154606836) has the molecular formula C10H9ClN6O2 and a molecular weight of 280.68 g/mol. Its IUPAC name is 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID154606836
Molecular FormulaC10H9ClN6O2
Molecular Weight280.68 g/mol
Exact Mass280.05
IUPAC Name5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nnc(CCn2ncc3nc(Cl)[nH]c(=O)c32)o1
InChIInChI=1S/C10H9ClN6O2/c1-5-15-16-7(19-5)2-3-17-8-6(4-12-17)13-10(11)14-9(8)18/h4H,2-3H2,1H3,(H,13,14,18)
InChIKeyVVKCPLVJQHYSSK-UHFFFAOYSA-N
XLogP0.71
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 154606836) is 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nnc(CCn2ncc3nc(Cl)[nH]c(=O)c32)o1.
What is the InChIKey of 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VVKCPLVJQHYSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O2/c1-5-15-16-7(19-5)2-3-17-8-6(4-12-17)13-10(11)14-9(8)18/h4H,2-3H2,1H3,(H,13,14,18).
What are the key properties of 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 280.68 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 154606836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).