3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C21H15ClF3N5O2S — CID 19521126

IUPAC3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccccc4)c23)cc1Cl
InChIInChI=1S/C21H15ClF3N5O2S/c1-10-13(22)8-30(29-10)9-15(31)28-17-16-12(11-5-3-2-4-6-11)7-14(21(23,24)25)27-20(16)33-18(17)19(26)32/h2-8H,9H2,1H3,(H2,26,32)(H,28,31)
InChIKeyFJYCEUMYCXFDBI-UHFFFAOYSA-N
MW493.90 g/mol
LogP4.88
Rot. Bonds5

About 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19521126) has the molecular formula C21H15ClF3N5O2S and a molecular weight of 493.90 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19521126
Molecular FormulaC21H15ClF3N5O2S
Molecular Weight493.90 g/mol
Exact Mass493.06
IUPAC Name3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccccc4)c23)cc1Cl
InChIInChI=1S/C21H15ClF3N5O2S/c1-10-13(22)8-30(29-10)9-15(31)28-17-16-12(11-5-3-2-4-6-11)7-14(21(23,24)25)27-20(16)33-18(17)19(26)32/h2-8H,9H2,1H3,(H2,26,32)(H,28,31)
InChIKeyFJYCEUMYCXFDBI-UHFFFAOYSA-N
XLogP4.88
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.90
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19544147
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534101
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
4-(4-methylphenyl)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19516076
3-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19565727
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886
3-[3-(4-chloropyrazol-1-yl)propanoylamino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19539644
3-[3-(3-nitropyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19566003
3-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19525639
3-[2-(4-chloropyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538604
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19525985
4-(1,5-dimethylpyrazol-4-yl)-3-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19522373

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19521126) is 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccccc4)c23)cc1Cl.
What is the InChIKey of 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FJYCEUMYCXFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O2S/c1-10-13(22)8-30(29-10)9-15(31)28-17-16-12(11-5-3-2-4-6-11)7-14(21(23,24)25)27-20(16)33-18(17)19(26)32/h2-8H,9H2,1H3,(H2,26,32)(H,28,31).
What are the key properties of 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 493.90 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19521126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).