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

C22H17ClF3N5O2S — CID 19534101

IUPAC3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C(C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccccc4)c23)cc1Cl
InChIInChI=1S/C22H17ClF3N5O2S/c1-10-14(23)9-31(30-10)11(2)20(33)29-17-16-13(12-6-4-3-5-7-12)8-15(22(24,25)26)28-21(16)34-18(17)19(27)32/h3-9,11H,1-2H3,(H2,27,32)(H,29,33)
InChIKeyUHIQUICGHUKAHV-UHFFFAOYSA-N
MW507.93 g/mol
LogP5.44
Rot. Bonds5

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

3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19534101) has the molecular formula C22H17ClF3N5O2S and a molecular weight of 507.93 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19534101
Molecular FormulaC22H17ClF3N5O2S
Molecular Weight507.93 g/mol
Exact Mass507.07
IUPAC Name3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C(C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccccc4)c23)cc1Cl
InChIInChI=1S/C22H17ClF3N5O2S/c1-10-14(23)9-31(30-10)11(2)20(33)29-17-16-13(12-6-4-3-5-7-12)8-15(22(24,25)26)28-21(16)34-18(17)19(27)32/h3-9,11H,1-2H3,(H2,27,32)(H,29,33)
InChIKeyUHIQUICGHUKAHV-UHFFFAOYSA-N
XLogP5.44
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.93
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534117
3-[2-(4-chloropyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538604
3-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19521126
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-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538296
3-[2-(4-chloropyrazol-1-yl)propanoylamino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538608
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-[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]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19534026
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886
3-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19531942
3-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538916

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19534101) is 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-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)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C(C)C(=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)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UHIQUICGHUKAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2S/c1-10-14(23)9-31(30-10)11(2)20(33)29-17-16-13(12-6-4-3-5-7-12)8-15(22(24,25)26)28-21(16)34-18(17)19(27)32/h3-9,11H,1-2H3,(H2,27,32)(H,29,33).
What are the key properties of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 507.93 g/mol, XLogP of 5.44, 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)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19534101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).