2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H16N4O3 — CID 70925462

IUPAC2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1ccccc1
InChIInChI=1S/C20H16N4O3/c21-19-18(12-4-2-1-3-5-12)20-22-14(11-17(25)24(20)23-19)13-6-7-15-16(10-13)27-9-8-26-15/h1-7,10-11,23H,8-9,21H2
InChIKeyWZQZNWMXEUIJRO-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925462) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925462
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1ccccc1
InChIInChI=1S/C20H16N4O3/c21-19-18(12-4-2-1-3-5-12)20-22-14(11-17(25)24(20)23-19)13-6-7-15-16(10-13)27-9-8-26-15/h1-7,10-11,23H,8-9,21H2
InChIKeyWZQZNWMXEUIJRO-UHFFFAOYSA-N
XLogP2.71
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925462) is 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1ccccc1.
What is the InChIKey of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WZQZNWMXEUIJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c21-19-18(12-4-2-1-3-5-12)20-22-14(11-17(25)24(20)23-19)13-6-7-15-16(10-13)27-9-8-26-15/h1-7,10-11,23H,8-9,21H2.
What are the key properties of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).