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

C17H16F3N5O2S — CID 19280793

IUPAC3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ncc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c1C
InChIInChI=1S/C17H16F3N5O2S/c1-4-25-8(3)9(6-22-25)15(27)24-12-11-7(2)5-10(17(18,19)20)23-16(11)28-13(12)14(21)26/h5-6H,4H2,1-3H3,(H2,21,26)(H,24,27)
InChIKeyDMHSTTSCOXIUNT-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.50
Rot. Bonds4

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

3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19280793) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19280793
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC Name3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ncc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c1C
InChIInChI=1S/C17H16F3N5O2S/c1-4-25-8(3)9(6-22-25)15(27)24-12-11-7(2)5-10(17(18,19)20)23-16(11)28-13(12)14(21)26/h5-6H,4H2,1-3H3,(H2,21,26)(H,24,27)
InChIKeyDMHSTTSCOXIUNT-UHFFFAOYSA-N
XLogP3.50
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19570228
3-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19552098
4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19281625
4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19267686
4-methyl-3-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19460283
3-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19477765
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557523
3-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19268429
3-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19516609
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19462031
3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19270867

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19280793) is 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1ncc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)c1C.
What is the InChIKey of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DMHSTTSCOXIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c1-4-25-8(3)9(6-22-25)15(27)24-12-11-7(2)5-10(17(18,19)20)23-16(11)28-13(12)14(21)26/h5-6H,4H2,1-3H3,(H2,21,26)(H,24,27).
What are the key properties of 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19280793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).