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

C18H9F6N5O3S — CID 19508317

IUPAC4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C18H9F6N5O3S/c19-17(20,21)9-4-6(8-2-1-3-32-8)11-12(13(14(25)30)33-16(11)26-9)27-15(31)7-5-10(29-28-7)18(22,23)24/h1-5H,(H2,25,30)(H,27,31)(H,28,29)
InChIKeyVSFMLAXSLXASOU-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.67
Rot. Bonds4

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

4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19508317) has the molecular formula C18H9F6N5O3S and a molecular weight of 489.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19508317
Molecular FormulaC18H9F6N5O3S
Molecular Weight489.36 g/mol
Exact Mass489.03
IUPAC Name4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C18H9F6N5O3S/c19-17(20,21)9-4-6(8-2-1-3-32-8)11-12(13(14(25)30)33-16(11)26-9)27-15(31)7-5-10(29-28-7)18(22,23)24/h1-5H,(H2,25,30)(H,27,31)(H,28,29)
InChIKeyVSFMLAXSLXASOU-UHFFFAOYSA-N
XLogP4.67
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
3-amino-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 893110
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid o-tolylamide
CID 1405158
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid phenylamide
CID 1974623
6-Amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
CID 46884128
6-Amino-8-[5-(trifluoromethyl)furan-2-yl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
CID 46884209
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
(3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 1415611
3-amino-4-(furan-2-yl)-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1420362
3-Amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 10564173
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid m-tolylamide
CID 1426881

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19508317) is 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VSFMLAXSLXASOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6N5O3S/c19-17(20,21)9-4-6(8-2-1-3-32-8)11-12(13(14(25)30)33-16(11)26-9)27-15(31)7-5-10(29-28-7)18(22,23)24/h1-5H,(H2,25,30)(H,27,31)(H,28,29).
What are the key properties of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 489.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19508317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).