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

C20H25N7O2 — CID 135873859

IUPAC6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nccc(C2CN([C@H](C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1
InChIInChI=1S/C20H25N7O2/c1-12(26-10-14(11-26)17-3-6-21-13(2)23-17)18-24-19-16(20(28)25-18)9-22-27(19)15-4-7-29-8-5-15/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3,(H,24,25,28)/t12-/m1/s1
InChIKeyIYNWPEUGVKTUQL-GFCCVEGCSA-N
MW395.47 g/mol
LogP1.73
Rot. Bonds4

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

6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873859) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873859
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nccc(C2CN([C@H](C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1
InChIInChI=1S/C20H25N7O2/c1-12(26-10-14(11-26)17-3-6-21-13(2)23-17)18-24-19-16(20(28)25-18)9-22-27(19)15-4-7-29-8-5-15/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3,(H,24,25,28)/t12-/m1/s1
InChIKeyIYNWPEUGVKTUQL-GFCCVEGCSA-N
XLogP1.73
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-{(3S,4S)-4-methyl-1-[(6-methylpyridin-3-yl)methyl]pyrrolidin-3-yl}-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886467
6-[(3S,4S)-4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136128521
N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555267
6-[(1R)-1-[3-(4-methyl-2-pyridinyl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873839
6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873842
1-(oxan-4-yl)-6-[(1R)-1-(3-pyrazin-2-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873847
1-(oxan-4-yl)-6-[(1R)-1-(3-pyrimidin-2-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873848
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridin-2-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873849
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridin-4-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873850
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873851
1-(oxan-4-yl)-6-[(1R)-1-(3-pyrimidin-5-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873857
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873858

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873859) is 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nccc(C2CN([C@H](C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1.
What is the InChIKey of 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IYNWPEUGVKTUQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12(26-10-14(11-26)17-3-6-21-13(2)23-17)18-24-19-16(20(28)25-18)9-22-27(19)15-4-7-29-8-5-15/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3,(H,24,25,28)/t12-/m1/s1.
What are the key properties of 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).