3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H12BrF3N6O2S — CID 19462264

IUPAC3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1NC(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C22H12BrF3N6O2S/c23-14-16(31-32-8-4-7-28-19(14)32)20(34)30-15-13-11(10-5-2-1-3-6-10)9-12(22(24,25)26)29-21(13)35-17(15)18(27)33/h1-9H,(H2,27,33)(H,30,34)
InChIKeyYBSNLMWNAUHZTE-UHFFFAOYSA-N
MW561.34 g/mol
LogP5.14
Rot. Bonds4

About 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19462264) has the molecular formula C22H12BrF3N6O2S and a molecular weight of 561.34 g/mol. Its IUPAC name is 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19462264
Molecular FormulaC22H12BrF3N6O2S
Molecular Weight561.34 g/mol
Exact Mass559.99
IUPAC Name3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1NC(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C22H12BrF3N6O2S/c23-14-16(31-32-8-4-7-28-19(14)32)20(34)30-15-13-11(10-5-2-1-3-6-10)9-12(22(24,25)26)29-21(13)35-17(15)18(27)33/h1-9H,(H2,27,33)(H,30,34)
InChIKeyYBSNLMWNAUHZTE-UHFFFAOYSA-N
XLogP5.14
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.34
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19462279
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-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886
3-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19268358
4-(furan-2-yl)-3-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19414665
3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19281410
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538296
3-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19508624
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-[[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-[[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-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19266239

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19462264) is 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-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)c1nn2cccnc2c1Br.
What is the InChIKey of 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YBSNLMWNAUHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrF3N6O2S/c23-14-16(31-32-8-4-7-28-19(14)32)20(34)30-15-13-11(10-5-2-1-3-6-10)9-12(22(24,25)26)29-21(13)35-17(15)18(27)33/h1-9H,(H2,27,33)(H,30,34).
What are the key properties of 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 561.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19462264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).