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

C33H36F7N7O7S-2 — CID 157096520

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

deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (PubChem CID 157096520) has the molecular formula C33H36F7N7O7S-2 and a molecular weight of 808.75 g/mol. Its IUPAC name is deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

Molecular Properties

• Compound Name: deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
• PubChem CID: 157096520
• Molecular Formula: C33H36F7N7O7S-2
• Molecular Weight: 808.75 g/mol
• Exact Mass: 808.24
• IUPAC Name: deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;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(C)(=O)=O.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.[2H-].[F-]
• InChI: InChI=1S/C17H19F3N4O4S.C16H16F3N3O3.FH.H/c1-11-12(15(25)23-29(2,26)27)3-4-13(21-11)24-9-5-14(22-24)28-10-8-16(6-7-16)17(18,19)20;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;;/h3-5,9H,6-8,10H2,1-2H3,(H,23,25);2-4,8H,5-7,9H2,1H3,(H,23,24);1H;/q;;;-1/p-1/i;;;1+1
• InChIKey: AFGSBHSZDZCBBI-SGNQUONSSA-M
• XLogP: 2.88
• TPSA: 180.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.75
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (CID 157096520) is deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

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

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

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

The InChIKey is AFGSBHSZDZCBBI-SGNQUONSSA-M. The full InChI is InChI=1S/C17H19F3N4O4S.C16H16F3N3O3.FH.H/c1-11-12(15(25)23-29(2,26)27)3-4-13(21-11)24-9-5-14(22-24)28-10-8-16(6-7-16)17(18,19)20;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;;/h3-5,9H,6-8,10H2,1-2H3,(H,23,25);2-4,8H,5-7,9H2,1H3,(H,23,24);1H;/q;;;-1/p-1/i;;;1+1.

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

deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride has a molecular weight of 808.75 g/mol, XLogP of 2.88, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride is sourced from PubChem (CID 157096520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).