2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H16N4O2 — CID 92577551

IUPAC2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccn2)nc2cc(C3CCOCC3)[nH]n12
InChIInChI=1S/C16H16N4O2/c21-16-10-14(12-3-1-2-6-17-12)18-15-9-13(19-20(15)16)11-4-7-22-8-5-11/h1-3,6,9-11,19H,4-5,7-8H2
InChIKeyIUJZJCGUMVPQQN-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.98
Rot. Bonds2

About 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92577551) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92577551
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccn2)nc2cc(C3CCOCC3)[nH]n12
InChIInChI=1S/C16H16N4O2/c21-16-10-14(12-3-1-2-6-17-12)18-15-9-13(19-20(15)16)11-4-7-22-8-5-11/h1-3,6,9-11,19H,4-5,7-8H2
InChIKeyIUJZJCGUMVPQQN-UHFFFAOYSA-N
XLogP1.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92577551) is 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccn2)nc2cc(C3CCOCC3)[nH]n12.
What is the InChIKey of 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IUJZJCGUMVPQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16-10-14(12-3-1-2-6-17-12)18-15-9-13(19-20(15)16)11-4-7-22-8-5-11/h1-3,6,9-11,19H,4-5,7-8H2.
What are the key properties of 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 296.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92577551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).