4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H11F6N5O2S — CID 19267686

IUPAC4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc(C(F)(F)F)n(C)n3)c12
InChIInChI=1S/C16H11F6N5O2S/c1-5-3-7(15(17,18)19)24-14-9(5)10(11(30-14)12(23)28)25-13(29)6-4-8(16(20,21)22)27(2)26-6/h3-4H,1-2H3,(H2,23,28)(H,25,29)
InChIKeyFADXNSWFZSDOJR-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.73
Rot. Bonds3

About 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19267686) has the molecular formula C16H11F6N5O2S and a molecular weight of 451.35 g/mol. Its IUPAC name is 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19267686
Molecular FormulaC16H11F6N5O2S
Molecular Weight451.35 g/mol
Exact Mass451.05
IUPAC Name4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc(C(F)(F)F)n(C)n3)c12
InChIInChI=1S/C16H11F6N5O2S/c1-5-3-7(15(17,18)19)24-14-9(5)10(11(30-14)12(23)28)25-13(29)6-4-8(16(20,21)22)27(2)26-6/h3-4H,1-2H3,(H2,23,28)(H,25,29)
InChIKeyFADXNSWFZSDOJR-UHFFFAOYSA-N
XLogP3.73
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-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

4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19281625
3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19270867
4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19267743
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280793
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557523
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19451313
4-methyl-3-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19277480
3-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19516609
4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19512760
3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19570228
3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19549548
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19447444

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19267686) is 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)nc2sc(C(N)=O)c(NC(=O)c3cc(C(F)(F)F)n(C)n3)c12.
What is the InChIKey of 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FADXNSWFZSDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N5O2S/c1-5-3-7(15(17,18)19)24-14-9(5)10(11(30-14)12(23)28)25-13(29)6-4-8(16(20,21)22)27(2)26-6/h3-4H,1-2H3,(H2,23,28)(H,25,29).
What are the key properties of 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 451.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19267686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).