6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide

C32H22F4N6O3S — CID 46888811

About 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide

6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 46888811) has the molecular formula C32H22F4N6O3S and a molecular weight of 646.63 g/mol. Its IUPAC name is 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide
• PubChem CID: 46888811
• Molecular Formula: C32H22F4N6O3S
• Molecular Weight: 646.63 g/mol
• Exact Mass: 646.14
• IUPAC Name: 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)nc1
• InChI: InChI=1S/C32H22F4N6O3S/c1-41(2)31(44)18-8-10-23(38-16-18)27-15-24-28(46-27)26(12-13-37-24)45-25-11-9-19(14-22(25)33)40-30(43)21-17-39-42(29(21)32(34,35)36)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,40,43)
• InChIKey: UKRFXUSHZYFIGR-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.63
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide (CID 46888811) is 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide?

The canonical SMILES for 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)nc1.

What is the InChIKey of 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide?

The InChIKey is UKRFXUSHZYFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F4N6O3S/c1-41(2)31(44)18-8-10-23(38-16-18)27-15-24-28(46-27)26(12-13-37-24)45-25-11-9-19(14-22(25)33)40-30(43)21-17-39-42(29(21)32(34,35)36)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,40,43).

What are the key properties of 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide?

6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 646.63 g/mol, XLogP of 7.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 46888811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).