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

C23H14F3N5O3S — CID 19514701

IUPAC6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H14F3N5O3S/c24-11-5-3-10(4-6-11)13-9-15(31-30-13)22(33)29-18-17-12(16-2-1-7-34-16)8-14(20(25)26)28-23(17)35-19(18)21(27)32/h1-9,20H,(H2,27,32)(H,29,33)(H,30,31)
InChIKeyIOAOHACVYCGSFT-UHFFFAOYSA-N
MW497.46 g/mol
LogP5.37
Rot. Bonds6

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

6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19514701) has the molecular formula C23H14F3N5O3S and a molecular weight of 497.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19514701
Molecular FormulaC23H14F3N5O3S
Molecular Weight497.46 g/mol
Exact Mass497.08
IUPAC Name6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H14F3N5O3S/c24-11-5-3-10(4-6-11)13-9-15(31-30-13)22(33)29-18-17-12(16-2-1-7-34-16)8-14(20(25)26)28-23(17)35-19(18)21(27)32/h1-9,20H,(H2,27,32)(H,29,33)(H,30,31)
InChIKeyIOAOHACVYCGSFT-UHFFFAOYSA-N
XLogP5.37
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 55.37
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-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-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4311305
3-Amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 892409
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

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19514701) is 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IOAOHACVYCGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O3S/c24-11-5-3-10(4-6-11)13-9-15(31-30-13)22(33)29-18-17-12(16-2-1-7-34-16)8-14(20(25)26)28-23(17)35-19(18)21(27)32/h1-9,20H,(H2,27,32)(H,29,33)(H,30,31).
What are the key properties of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19514701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).