1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine

C20H18N4O3S — CID 59259451

IUPAC1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine
SMILESCN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ncccc23)CC1
InChIInChI=1S/C20H18N4O3S/c1-23-10-6-14(7-11-23)19-17-3-2-9-21-20(17)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18/h2-6,8-9,12-13H,7,10-11H2,1H3
InChIKeyXYERMDXLFHMWNM-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.13
Rot. Bonds3

About 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine

1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine (PubChem CID 59259451) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine
PubChem CID59259451
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine
SMILESCN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ncccc23)CC1
InChIInChI=1S/C20H18N4O3S/c1-23-10-6-14(7-11-23)19-17-3-2-9-21-20(17)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18/h2-6,8-9,12-13H,7,10-11H2,1H3
InChIKeyXYERMDXLFHMWNM-UHFFFAOYSA-N
XLogP3.13
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine (CID 59259451) is 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine is CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ncccc23)CC1.
What is the InChIKey of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is XYERMDXLFHMWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-23-10-6-14(7-11-23)19-17-3-2-9-21-20(17)24(22-19)28(25,26)16-4-5-18-15(13-16)8-12-27-18/h2-6,8-9,12-13H,7,10-11H2,1H3.
What are the key properties of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine?
1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 394.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 59259451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).