N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride

C38H38F7N7O7S-2 — CID 160776982

About N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride

N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (PubChem CID 160776982) has the molecular formula C38H38F7N7O7S-2 and a molecular weight of 870.82 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
• PubChem CID: 160776982
• Molecular Formula: C38H38F7N7O7S-2
• Molecular Weight: 870.82 g/mol
• Exact Mass: 870.25
• IUPAC Name: N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
• SMILES: Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.[2H-].[F-]
• InChI: InChI=1S/C22H21F3N4O4S.C16H16F3N3O3.FH.H/c1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19;;/h2-9,13H,10-12,14H2,1H3,(H,28,30);2-4,8H,5-7,9H2,1H3,(H,23,24);1H;/q;;;-1/p-1/i;;;1+1
• InChIKey: SABOETUAPMTQJM-SGNQUONSSA-M
• XLogP: 4.31
• TPSA: 180.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.82
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

The IUPAC name of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (CID 160776982) is N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

What is the SMILES notation for N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

The canonical SMILES for N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride is Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.[2H-].[F-].

What is the InChIKey of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

The InChIKey is SABOETUAPMTQJM-SGNQUONSSA-M. The full InChI is InChI=1S/C22H21F3N4O4S.C16H16F3N3O3.FH.H/c1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19;;/h2-9,13H,10-12,14H2,1H3,(H,28,30);2-4,8H,5-7,9H2,1H3,(H,23,24);1H;/q;;;-1/p-1/i;;;1+1.

What are the key properties of N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride has a molecular weight of 870.82 g/mol, XLogP of 4.31, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride is sourced from PubChem (CID 160776982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).