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

C20H16N4O3 — CID 70925351

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1cccnc1
InChIInChI=1S/C20H16N4O3/c1-12-19(14-3-2-6-21-11-14)20-22-15(10-18(25)24(20)23-12)13-4-5-16-17(9-13)27-8-7-26-16/h2-6,9-11,23H,7-8H2,1H3
InChIKeyZVDCAPWWKWFIOJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.83
Rot. Bonds2

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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925351) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925351
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1cccnc1
InChIInChI=1S/C20H16N4O3/c1-12-19(14-3-2-6-21-11-14)20-22-15(10-18(25)24(20)23-12)13-4-5-16-17(9-13)27-8-7-26-16/h2-6,9-11,23H,7-8H2,1H3
InChIKeyZVDCAPWWKWFIOJ-UHFFFAOYSA-N
XLogP2.83
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925351) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1cccnc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZVDCAPWWKWFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-19(14-3-2-6-21-11-14)20-22-15(10-18(25)24(20)23-12)13-4-5-16-17(9-13)27-8-7-26-16/h2-6,9-11,23H,7-8H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).