6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide

C24H21F2N5O4S — CID 176830563

About 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide

6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide (PubChem CID 176830563) has the molecular formula C24H21F2N5O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
• PubChem CID: 176830563
• Molecular Formula: C24H21F2N5O4S
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.13
• IUPAC Name: 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
• SMILES: Cc1cc(C(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(C#N)c2)ccc1S(=O)(=O)NC1COC1
• InChI: InChI=1S/C24H21F2N5O4S/c1-13-6-19(23(25)26)29-21(15-2-3-15)22(13)35-24-20(36(32,33)31-17-11-34-12-17)5-4-18(30-24)16-7-14(8-27)9-28-10-16/h4-7,9-10,15,17,23,31H,2-3,11-12H2,1H3
• InChIKey: ZDBPRUOYRNUPEF-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 127.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide (CID 176830563) is 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide is Cc1cc(C(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(C#N)c2)ccc1S(=O)(=O)NC1COC1.

What is the InChIKey of 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide?

The InChIKey is ZDBPRUOYRNUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4S/c1-13-6-19(23(25)26)29-21(15-2-3-15)22(13)35-24-20(36(32,33)31-17-11-34-12-17)5-4-18(30-24)16-7-14(8-27)9-28-10-16/h4-7,9-10,15,17,23,31H,2-3,11-12H2,1H3.

What are the key properties of 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide?

6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide has a molecular weight of 513.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 176830563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).