5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H12N4O3 — CID 70925355

IUPAC5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C18H12N4O3/c23-17-8-14(11-4-5-15-16(7-11)25-10-24-15)21-18-12(9-20-22(17)18)13-3-1-2-6-19-13/h1-9,20H,10H2
InChIKeyNEUMABHBXMWNAR-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.48
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925355) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925355
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C18H12N4O3/c23-17-8-14(11-4-5-15-16(7-11)25-10-24-15)21-18-12(9-20-22(17)18)13-3-1-2-6-19-13/h1-9,20H,10H2
InChIKeyNEUMABHBXMWNAR-UHFFFAOYSA-N
XLogP2.48
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925355) is 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc3c(c2)OCO3)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NEUMABHBXMWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-17-8-14(11-4-5-15-16(7-11)25-10-24-15)21-18-12(9-20-22(17)18)13-3-1-2-6-19-13/h1-9,20H,10H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).