6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine

C21H15N5O3S — CID 146639545

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine
SMILESO=S(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C21H15N5O3S/c27-30(21-13-23-20-3-1-2-6-25(20)21)26-17-9-15(11-22-16(17)12-24-26)14-4-5-18-19(10-14)29-8-7-28-18/h1-6,9-13H,7-8H2
InChIKeyQODNEODPRHJFRP-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.09
Rot. Bonds3

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine (PubChem CID 146639545) has the molecular formula C21H15N5O3S and a molecular weight of 417.45 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine
PubChem CID146639545
Molecular FormulaC21H15N5O3S
Molecular Weight417.45 g/mol
Exact Mass417.09
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine
SMILESO=S(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C21H15N5O3S/c27-30(21-13-23-20-3-1-2-6-25(20)21)26-17-9-15(11-22-16(17)12-24-26)14-4-5-18-19(10-14)29-8-7-28-18/h1-6,9-13H,7-8H2
InChIKeyQODNEODPRHJFRP-UHFFFAOYSA-N
XLogP3.09
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine (CID 146639545) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine is O=S(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4c(c3)OCCO4)cc21.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine?
The InChIKey is QODNEODPRHJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S/c27-30(21-13-23-20-3-1-2-6-25(20)21)26-17-9-15(11-22-16(17)12-24-26)14-4-5-18-19(10-14)29-8-7-28-18/h1-6,9-13H,7-8H2.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine has a molecular weight of 417.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 146639545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).