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

C34H26F4N6O4S — CID 59684944

IUPAC6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)nc1
InChIInChI=1S/C34H26F4N6O4S/c1-43(14-15-47-2)33(46)20-8-10-25(40-18-20)29-17-26-30(49-29)28(12-13-39-26)48-27-11-9-21(16-24(27)35)42-32(45)23-19-41-44(31(23)34(36,37)38)22-6-4-3-5-7-22/h3-13,16-19H,14-15H2,1-2H3,(H,42,45)
InChIKeyZLXZSYRGDRWWOJ-UHFFFAOYSA-N
MW690.68 g/mol
LogP7.46
Rot. Bonds10

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

6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide (PubChem CID 59684944) has the molecular formula C34H26F4N6O4S and a molecular weight of 690.68 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-(2-methoxyethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
PubChem CID59684944
Molecular FormulaC34H26F4N6O4S
Molecular Weight690.68 g/mol
Exact Mass690.17
IUPAC Name6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)nc1
InChIInChI=1S/C34H26F4N6O4S/c1-43(14-15-47-2)33(46)20-8-10-25(40-18-20)29-17-26-30(49-29)28(12-13-39-26)48-27-11-9-21(16-24(27)35)42-32(45)23-19-41-44(31(23)34(36,37)38)22-6-4-3-5-7-22/h3-13,16-19H,14-15H2,1-2H3,(H,42,45)
InChIKeyZLXZSYRGDRWWOJ-UHFFFAOYSA-N
XLogP7.46
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.68
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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-(2-methoxyethyl)-N-methylpyridine-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-(2-methoxyethyl)-N-methylpyridine-3-carboxamide (CID 59684944) is 6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylpyridine-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-(2-methoxyethyl)-N-methylpyridine-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-(2-methoxyethyl)-N-methylpyridine-3-carboxamide is COCCN(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-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is ZLXZSYRGDRWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F4N6O4S/c1-43(14-15-47-2)33(46)20-8-10-25(40-18-20)29-17-26-30(49-29)28(12-13-39-26)48-27-11-9-21(16-24(27)35)42-32(45)23-19-41-44(31(23)34(36,37)38)22-6-4-3-5-7-22/h3-13,16-19H,14-15H2,1-2H3,(H,42,45).
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-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
6-[7-[2-fluoro-4-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 690.68 g/mol, XLogP of 7.46, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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-(2-methoxyethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 59684944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).