3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C21H16BrF2N5O2S — CID 19266239

IUPAC3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)nn1C
InChIInChI=1S/C21H16BrF2N5O2S/c1-9-14(22)16(28-29(9)2)20(31)27-15-13-11(10-6-4-3-5-7-10)8-12(18(23)24)26-21(13)32-17(15)19(25)30/h3-8,18H,1-2H3,(H2,25,30)(H,27,31)
InChIKeyXPLRJUWHSAHARN-UHFFFAOYSA-N
MW520.36 g/mol
LogP5.06
Rot. Bonds5

About 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19266239) has the molecular formula C21H16BrF2N5O2S and a molecular weight of 520.36 g/mol. Its IUPAC name is 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19266239
Molecular FormulaC21H16BrF2N5O2S
Molecular Weight520.36 g/mol
Exact Mass519.02
IUPAC Name3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)nn1C
InChIInChI=1S/C21H16BrF2N5O2S/c1-9-14(22)16(28-29(9)2)20(31)27-15-13-11(10-6-4-3-5-7-10)8-12(18(23)24)26-21(13)32-17(15)19(25)30/h3-8,18H,1-2H3,(H2,25,30)(H,27,31)
InChIKeyXPLRJUWHSAHARN-UHFFFAOYSA-N
XLogP5.06
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[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-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19268421
3-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19532550
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886
6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 4776641
6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19262276
3-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19271790
3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19517532
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266923
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
6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19569930
3-[2-(4-bromopyrazol-1-yl)butanoylamino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19551383
3-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19531942

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19266239) is 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1c(Br)c(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)nn1C.
What is the InChIKey of 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XPLRJUWHSAHARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrF2N5O2S/c1-9-14(22)16(28-29(9)2)20(31)27-15-13-11(10-6-4-3-5-7-10)8-12(18(23)24)26-21(13)32-17(15)19(25)30/h3-8,18H,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 520.36 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19266239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).