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

C18H10F5N5O3S — CID 19508367

IUPAC6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C18H10F5N5O3S/c19-14(20)7-4-6(9-2-1-3-31-9)11-12(13(15(24)29)32-17(11)25-7)26-16(30)8-5-10(28-27-8)18(21,22)23/h1-5,14H,(H2,24,29)(H,26,30)(H,27,28)
InChIKeyBDJLXWNNBWFRFN-UHFFFAOYSA-N
MW471.37 g/mol
LogP4.59
Rot. Bonds5

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19508367) has the molecular formula C18H10F5N5O3S and a molecular weight of 471.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19508367
Molecular FormulaC18H10F5N5O3S
Molecular Weight471.37 g/mol
Exact Mass471.04
IUPAC Name6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C18H10F5N5O3S/c19-14(20)7-4-6(9-2-1-3-31-9)11-12(13(15(24)29)32-17(11)25-7)26-16(30)8-5-10(28-27-8)18(21,22)23/h1-5,14H,(H2,24,29)(H,26,30)(H,27,28)
InChIKeyBDJLXWNNBWFRFN-UHFFFAOYSA-N
XLogP4.59
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 54.59
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 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19508367) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BDJLXWNNBWFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N5O3S/c19-14(20)7-4-6(9-2-1-3-31-9)11-12(13(15(24)29)32-17(11)25-7)26-16(30)8-5-10(28-27-8)18(21,22)23/h1-5,14H,(H2,24,29)(H,26,30)(H,27,28).
What are the key properties of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 471.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19508367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).