Osoresnontrine

C16H17N5O2 — CID 135908617

IUPAC1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
InChIInChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
InChIKeyBZTIJCSHNVZMES-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.20
Rot. Bonds3

About Osoresnontrine

Osoresnontrine (PubChem CID 135908617) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound NameOsoresnontrine
PubChem CID135908617
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
InChIInChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
InChIKeyBZTIJCSHNVZMES-UHFFFAOYSA-N
XLogP0.20
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity477

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
trans-1-cyclopentyl-6-(4-methyl-1-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860092
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-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)-4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136128521
1-[(3S,4R)-4-cyanooxan-3-yl]-3-[[6-(difluoromethyl)pyridin-3-yl]amino]pyrazole-4-carboxamide
CID 90344045
1-Phenyl-5-[(pyridin-2-YL)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3239866
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
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide
CID 56835860

Frequently Asked Questions

What is the IUPAC name of Osoresnontrine?
The IUPAC name of Osoresnontrine (CID 135908617) is 1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for Osoresnontrine?
The canonical SMILES for Osoresnontrine is C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4.
What is the InChIKey of Osoresnontrine?
The InChIKey is BZTIJCSHNVZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22).
What are the key properties of Osoresnontrine?
Osoresnontrine has a molecular weight of 311.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Osoresnontrine is sourced from PubChem (CID 135908617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).