3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C15H15N5O3 — CID 154799772

IUPAC3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cnc2c(C(=O)N3CC(Cc4ccco4)C3)[nH]nc2c1=O
InChIInChI=1S/C15H15N5O3/c1-19-8-16-11-12(14(19)21)17-18-13(11)15(22)20-6-9(7-20)5-10-3-2-4-23-10/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyCTXWBDIYKKWMQB-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.56
Rot. Bonds3

About 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 154799772) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID154799772
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cnc2c(C(=O)N3CC(Cc4ccco4)C3)[nH]nc2c1=O
InChIInChI=1S/C15H15N5O3/c1-19-8-16-11-12(14(19)21)17-18-13(11)15(22)20-6-9(7-20)5-10-3-2-4-23-10/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyCTXWBDIYKKWMQB-UHFFFAOYSA-N
XLogP0.56
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 154799772) is 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is Cn1cnc2c(C(=O)N3CC(Cc4ccco4)C3)[nH]nc2c1=O.
What is the InChIKey of 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is CTXWBDIYKKWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19-8-16-11-12(14(19)21)17-18-13(11)15(22)20-6-9(7-20)5-10-3-2-4-23-10/h2-4,8-9H,5-7H2,1H3,(H,17,18).
What are the key properties of 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 313.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-ylmethyl)azetidine-1-carbonyl]-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 154799772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).