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

C21H12F3N5O3S2 — CID 19509235

IUPAC4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C21H12F3N5O3S2/c22-21(23,24)14-7-9(12-3-1-5-32-12)15-16(17(18(25)30)34-20(15)26-14)27-19(31)11-8-10(28-29-11)13-4-2-6-33-13/h1-8H,(H2,25,30)(H,27,31)(H,28,29)
InChIKeyGGLJOGXERVZKGZ-UHFFFAOYSA-N
MW503.49 g/mol
LogP5.38
Rot. Bonds5

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

4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509235) has the molecular formula C21H12F3N5O3S2 and a molecular weight of 503.49 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509235
Molecular FormulaC21H12F3N5O3S2
Molecular Weight503.49 g/mol
Exact Mass503.03
IUPAC Name4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C21H12F3N5O3S2/c22-21(23,24)14-7-9(12-3-1-5-32-12)15-16(17(18(25)30)34-20(15)26-14)27-19(31)11-8-10(28-29-11)13-4-2-6-33-13/h1-8H,(H2,25,30)(H,27,31)(H,28,29)
InChIKeyGGLJOGXERVZKGZ-UHFFFAOYSA-N
XLogP5.38
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.49
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid phenylamide
CID 1974623
3-Amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 17024715
3-amino-N-(4-fluorophenyl)-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1418110
3-amino-N-(4-fluorophenyl)-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 3832258
1-[(12Z)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-2,2,2-trifluoroethanone
CID 16240508
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 25189755
Methyl 2-({[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate
CID 1747256
9-(2-furyl)-7-phenyl-3-[2-(trifluoromethyl)phenyl]pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
CID 3335105
1-[6-Amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-2,2,2-trifluoroethanone
CID 3478406
3-Amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4775654
1-[(12E)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-2,2,2-trifluoroethanone
CID 5838053
4-(Furan-2-yl)-3-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19262091

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19509235) is 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GGLJOGXERVZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5O3S2/c22-21(23,24)14-7-9(12-3-1-5-32-12)15-16(17(18(25)30)34-20(15)26-14)27-19(31)11-8-10(28-29-11)13-4-2-6-33-13/h1-8H,(H2,25,30)(H,27,31)(H,28,29).
What are the key properties of 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 503.49 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).