4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide

C18H19N9O2S — CID 122694027

IUPAC4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(c3nnc4ccccn34)CC2)c1-c1ncn[nH]1
InChIInChI=1S/C18H19N9O2S/c19-30(28,29)18-15(16-21-11-22-24-16)13(4-7-20-18)26-9-5-12(6-10-26)17-25-23-14-3-1-2-8-27(14)17/h1-4,7-8,11-12H,5-6,9-10H2,(H2,19,28,29)(H,21,22,24)
InChIKeyHUAMUYDAHINRCC-UHFFFAOYSA-N
MW425.48 g/mol
LogP0.94
Rot. Bonds4

About 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide

4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide (PubChem CID 122694027) has the molecular formula C18H19N9O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide
PubChem CID122694027
Molecular FormulaC18H19N9O2S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC Name4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(c3nnc4ccccn34)CC2)c1-c1ncn[nH]1
InChIInChI=1S/C18H19N9O2S/c19-30(28,29)18-15(16-21-11-22-24-16)13(4-7-20-18)26-9-5-12(6-10-26)17-25-23-14-3-1-2-8-27(14)17/h1-4,7-8,11-12H,5-6,9-10H2,(H2,19,28,29)(H,21,22,24)
InChIKeyHUAMUYDAHINRCC-UHFFFAOYSA-N
XLogP0.94
TPSA148.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide (CID 122694027) is 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCC(c3nnc4ccccn34)CC2)c1-c1ncn[nH]1.
What is the InChIKey of 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is HUAMUYDAHINRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O2S/c19-30(28,29)18-15(16-21-11-22-24-16)13(4-7-20-18)26-9-5-12(6-10-26)17-25-23-14-3-1-2-8-27(14)17/h1-4,7-8,11-12H,5-6,9-10H2,(H2,19,28,29)(H,21,22,24).
What are the key properties of 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide?
4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 425.48 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-3-(1H-1,2,4-triazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 122694027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).