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

C19H23N7O2 — CID 135873858

IUPAC1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2cccnn2)C1
InChIInChI=1S/C19H23N7O2/c1-12(25-10-13(11-25)16-3-2-6-20-24-16)17-22-18-15(19(27)23-17)9-21-26(18)14-4-7-28-8-5-14/h2-3,6,9,12-14H,4-5,7-8,10-11H2,1H3,(H,22,23,27)/t12-/m1/s1
InChIKeyJCZXZSYXYZCZII-GFCCVEGCSA-N
MW381.44 g/mol
LogP1.42
Rot. Bonds4

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

1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873858) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873858
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2cccnn2)C1
InChIInChI=1S/C19H23N7O2/c1-12(25-10-13(11-25)16-3-2-6-20-24-16)17-22-18-15(19(27)23-17)9-21-26(18)14-4-7-28-8-5-14/h2-3,6,9,12-14H,4-5,7-8,10-11H2,1H3,(H,22,23,27)/t12-/m1/s1
InChIKeyJCZXZSYXYZCZII-GFCCVEGCSA-N
XLogP1.42
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Osoresnontrine
CID 135908617
6-[(3S,4S)-1-(4-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886489
6-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
trans-1-cyclopentyl-6-(4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860090
PDE-9 inhibitor
CID 135886459
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)-1-(3-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886483
6-[(3S,4S)-1-benzyl-4-ethylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886491
6-[(3S,4S)-1-(2-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886495
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
rel-6-((3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136236301
6-[(3R,4R)-3-fluoro-4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 145990073

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873858) is 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2cccnn2)C1.
What is the InChIKey of 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JCZXZSYXYZCZII-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12(25-10-13(11-25)16-3-2-6-20-24-16)17-22-18-15(19(27)23-17)9-21-26(18)14-4-7-28-8-5-14/h2-3,6,9,12-14H,4-5,7-8,10-11H2,1H3,(H,22,23,27)/t12-/m1/s1.
What are the key properties of 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-6-[(1R)-1-(3-pyridazin-3-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).