3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H17N3O3S2 — CID 31223736

IUPAC3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1cc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccsc2)CC3)c(C)o1
InChIInChI=1S/C16H17N3O3S2/c1-10-7-13(11(2)22-10)16-14-8-19(5-3-15(14)17-18-16)24(20,21)12-4-6-23-9-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18)
InChIKeyCNGZVYFQFUOECC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.10
Rot. Bonds3

About 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31223736) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31223736
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1cc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccsc2)CC3)c(C)o1
InChIInChI=1S/C16H17N3O3S2/c1-10-7-13(11(2)22-10)16-14-8-19(5-3-15(14)17-18-16)24(20,21)12-4-6-23-9-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18)
InChIKeyCNGZVYFQFUOECC-UHFFFAOYSA-N
XLogP3.10
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 31223736) is 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1cc(-c2n[nH]c3c2CN(S(=O)(=O)c2ccsc2)CC3)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CNGZVYFQFUOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-10-7-13(11(2)22-10)16-14-8-19(5-3-15(14)17-18-16)24(20,21)12-4-6-23-9-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 363.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31223736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).