2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone

C16H12N2O3 — CID 103124427

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1cnn2ccccc12
InChIInChI=1S/C16H12N2O3/c19-16(12-10-17-18-6-2-1-3-13(12)18)11-4-5-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2
InChIKeyTXBUJISJQAGDIY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.34
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 103124427) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID103124427
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1cnn2ccccc12
InChIInChI=1S/C16H12N2O3/c19-16(12-10-17-18-6-2-1-3-13(12)18)11-4-5-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2
InChIKeyTXBUJISJQAGDIY-UHFFFAOYSA-N
XLogP2.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 65360475
(4-chloro-3-methoxyphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103124911
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
CID 766923
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
(4-ethoxyphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103124416
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82294568
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 71797859
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33369256
2,3-dihydro-1,4-benzodioxin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 79757453
2,3-dihydro-1,4-benzodioxin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105094160
2,3-dihydro-1,4-benzodioxin-6-yl-(3-pyrrolidin-1-ylphenyl)methanone
CID 168515445

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone (CID 103124427) is 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1ccc2c(c1)OCCO2)c1cnn2ccccc12.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is TXBUJISJQAGDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(12-10-17-18-6-2-1-3-13(12)18)11-4-5-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 280.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 103124427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).