5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C11H12N4O2S — CID 53185451

IUPAC5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C11H12N4O2S/c16-18(17,10-2-1-4-12-7-10)15-5-3-11-9(8-15)6-13-14-11/h1-2,4,6-7H,3,5,8H2,(H,13,14)
InChIKeyPDGMXVZUBOCGGE-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.55
Rot. Bonds2

About 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 53185451) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID53185451
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C11H12N4O2S/c16-18(17,10-2-1-4-12-7-10)15-5-3-11-9(8-15)6-13-14-11/h1-2,4,6-7H,3,5,8H2,(H,13,14)
InChIKeyPDGMXVZUBOCGGE-UHFFFAOYSA-N
XLogP0.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 53185451) is 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1cccnc1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is PDGMXVZUBOCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-18(17,10-2-1-4-12-7-10)15-5-3-11-9(8-15)6-13-14-11/h1-2,4,6-7H,3,5,8H2,(H,13,14).
What are the key properties of 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 264.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 53185451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).