3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C31H20F3N5O2S — CID 19281410

IUPAC3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C31H20F3N5O2S/c32-31(33,34)23-16-21(18-10-4-1-5-11-18)24-26(27(28(35)40)42-30(24)36-23)37-29(41)22-17-39(20-14-8-3-9-15-20)38-25(22)19-12-6-2-7-13-19/h1-17H,(H2,35,40)(H,37,41)
InChIKeyFVVJVYIOOGJRFU-UHFFFAOYSA-N
MW583.60 g/mol
LogP7.19
Rot. Bonds6

About 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19281410) has the molecular formula C31H20F3N5O2S and a molecular weight of 583.60 g/mol. Its IUPAC name is 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19281410
Molecular FormulaC31H20F3N5O2S
Molecular Weight583.60 g/mol
Exact Mass583.13
IUPAC Name3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C31H20F3N5O2S/c32-31(33,34)23-16-21(18-10-4-1-5-11-18)24-26(27(28(35)40)42-30(24)36-23)37-29(41)22-17-39(20-14-8-3-9-15-20)38-25(22)19-12-6-2-7-13-19/h1-17H,(H2,35,40)(H,37,41)
InChIKeyFVVJVYIOOGJRFU-UHFFFAOYSA-N
XLogP7.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.60
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(difluoromethyl)-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19281473
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886
3-[[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19466380
3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19521126
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534101
3-[[3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19464171
3-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19535866
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538296
3-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19568677
3-[[1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19274562
3-[[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19466675
3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19518754

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19281410) is 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FVVJVYIOOGJRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F3N5O2S/c32-31(33,34)23-16-21(18-10-4-1-5-11-18)24-26(27(28(35)40)42-30(24)36-23)37-29(41)22-17-39(20-14-8-3-9-15-20)38-25(22)19-12-6-2-7-13-19/h1-17H,(H2,35,40)(H,37,41).
What are the key properties of 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 583.60 g/mol, XLogP of 7.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19281410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).