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

C22H28N6O2 — CID 135873862

IUPAC6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2cccc(C)n2)C1
InChIInChI=1S/C22H28N6O2/c1-3-19(27-12-15(13-27)18-6-4-5-14(2)24-18)20-25-21-17(22(29)26-20)11-23-28(21)16-7-9-30-10-8-16/h4-6,11,15-16,19H,3,7-10,12-13H2,1-2H3,(H,25,26,29)/t19-/m1/s1
InChIKeyGLPWRUQSVIEUHA-LJQANCHMSA-N
MW408.51 g/mol
LogP2.73
Rot. Bonds5

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

6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873862) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873862
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2cccc(C)n2)C1
InChIInChI=1S/C22H28N6O2/c1-3-19(27-12-15(13-27)18-6-4-5-14(2)24-18)20-25-21-17(22(29)26-20)11-23-28(21)16-7-9-30-10-8-16/h4-6,11,15-16,19H,3,7-10,12-13H2,1-2H3,(H,25,26,29)/t19-/m1/s1
InChIKeyGLPWRUQSVIEUHA-LJQANCHMSA-N
XLogP2.73
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873862) is 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2cccc(C)n2)C1.
What is the InChIKey of 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GLPWRUQSVIEUHA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-3-19(27-12-15(13-27)18-6-4-5-14(2)24-18)20-25-21-17(22(29)26-20)11-23-28(21)16-7-9-30-10-8-16/h4-6,11,15-16,19H,3,7-10,12-13H2,1-2H3,(H,25,26,29)/t19-/m1/s1.
What are the key properties of 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 408.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).