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

C23H13F4N5O3S — CID 19514651

IUPAC3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H13F4N5O3S/c24-11-5-3-10(4-6-11)13-9-14(32-31-13)21(34)30-18-17-12(15-2-1-7-35-15)8-16(23(25,26)27)29-22(17)36-19(18)20(28)33/h1-9H,(H2,28,33)(H,30,34)(H,31,32)
InChIKeyLUDJUJYQIROMRX-UHFFFAOYSA-N
MW515.45 g/mol
LogP5.46
Rot. Bonds5

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

3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19514651) has the molecular formula C23H13F4N5O3S and a molecular weight of 515.45 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19514651
Molecular FormulaC23H13F4N5O3S
Molecular Weight515.45 g/mol
Exact Mass515.07
IUPAC Name3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H13F4N5O3S/c24-11-5-3-10(4-6-11)13-9-14(32-31-13)21(34)30-18-17-12(15-2-1-7-35-15)8-16(23(25,26)27)29-22(17)36-19(18)20(28)33/h1-9H,(H2,28,33)(H,30,34)(H,31,32)
InChIKeyLUDJUJYQIROMRX-UHFFFAOYSA-N
XLogP5.46
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.45
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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 p-tolylamide
CID 1829266
3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 666567
3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 667115
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-N-(2-fluorophenyl)-6-(2-furanyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 1959044
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-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
3-amino-4-(furan-2-yl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1982011

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19514651) is 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LUDJUJYQIROMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F4N5O3S/c24-11-5-3-10(4-6-11)13-9-14(32-31-13)21(34)30-18-17-12(15-2-1-7-35-15)8-16(23(25,26)27)29-22(17)36-19(18)20(28)33/h1-9H,(H2,28,33)(H,30,34)(H,31,32).
What are the key properties of 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 515.45 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).