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

C20H16N4O3 — CID 70925482

IUPAC5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)nc2c1-c1ccccn1
InChIInChI=1S/C20H16N4O3/c1-2-13-19(14-5-3-4-8-21-14)20-22-15(10-18(25)24(20)23-13)12-6-7-16-17(9-12)27-11-26-16/h3-10,23H,2,11H2,1H3
InChIKeyBDBIEAONUQGAMU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.04
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925482) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925482
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)nc2c1-c1ccccn1
InChIInChI=1S/C20H16N4O3/c1-2-13-19(14-5-3-4-8-21-14)20-22-15(10-18(25)24(20)23-13)12-6-7-16-17(9-12)27-11-26-16/h3-10,23H,2,11H2,1H3
InChIKeyBDBIEAONUQGAMU-UHFFFAOYSA-N
XLogP3.04
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.04
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)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925482) is 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)nc2c1-c1ccccn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BDBIEAONUQGAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-2-13-19(14-5-3-4-8-21-14)20-22-15(10-18(25)24(20)23-13)12-6-7-16-17(9-12)27-11-26-16/h3-10,23H,2,11H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.37 g/mol, XLogP of 3.04, 3 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)-2-ethyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).