1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H20N6O — CID 166311263

IUPAC1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc2cc(CN3CC(c4nc5c(cnn5C)c(=O)[nH]4)C3)ccc2n1
InChIInChI=1S/C20H20N6O/c1-12-3-5-14-7-13(4-6-17(14)22-12)9-26-10-15(11-26)18-23-19-16(20(27)24-18)8-21-25(19)2/h3-8,15H,9-11H2,1-2H3,(H,23,24,27)
InChIKeyOEIJEFXHCZMFRO-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166311263) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166311263
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc2cc(CN3CC(c4nc5c(cnn5C)c(=O)[nH]4)C3)ccc2n1
InChIInChI=1S/C20H20N6O/c1-12-3-5-14-7-13(4-6-17(14)22-12)9-26-10-15(11-26)18-23-19-16(20(27)24-18)8-21-25(19)2/h3-8,15H,9-11H2,1-2H3,(H,23,24,27)
InChIKeyOEIJEFXHCZMFRO-UHFFFAOYSA-N
XLogP2.11
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166311263) is 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc2cc(CN3CC(c4nc5c(cnn5C)c(=O)[nH]4)C3)ccc2n1.
What is the InChIKey of 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OEIJEFXHCZMFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-3-5-14-7-13(4-6-17(14)22-12)9-26-10-15(11-26)18-23-19-16(20(27)24-18)8-21-25(19)2/h3-8,15H,9-11H2,1-2H3,(H,23,24,27).
What are the key properties of 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166311263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).