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

C24H17F2N5O3S — CID 19513166

IUPAC6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccco5)c34)[nH]n2)cc1
InChIInChI=1S/C24H17F2N5O3S/c1-11-4-6-12(7-5-11)14-10-16(31-30-14)23(33)29-19-18-13(17-3-2-8-34-17)9-15(21(25)26)28-24(18)35-20(19)22(27)32/h2-10,21H,1H3,(H2,27,32)(H,29,33)(H,30,31)
InChIKeyDXVPZRWAHBBVIV-UHFFFAOYSA-N
MW493.50 g/mol
LogP5.54
Rot. Bonds6

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19513166) has the molecular formula C24H17F2N5O3S and a molecular weight of 493.50 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19513166
Molecular FormulaC24H17F2N5O3S
Molecular Weight493.50 g/mol
Exact Mass493.10
IUPAC Name6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccco5)c34)[nH]n2)cc1
InChIInChI=1S/C24H17F2N5O3S/c1-11-4-6-12(7-5-11)14-10-16(31-30-14)23(33)29-19-18-13(17-3-2-8-34-17)9-15(21(25)26)28-24(18)35-20(19)22(27)32/h2-10,21H,1H3,(H2,27,32)(H,29,33)(H,30,31)
InChIKeyDXVPZRWAHBBVIV-UHFFFAOYSA-N
XLogP5.54
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.50
LogP ≤ 55.54
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-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
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)-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
3-amino-4-(furan-2-yl)-N-(p-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1330423
3-amino-4-(furan-2-yl)-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1388006

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19513166) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccco5)c34)[nH]n2)cc1.
What is the InChIKey of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DXVPZRWAHBBVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O3S/c1-11-4-6-12(7-5-11)14-10-16(31-30-14)23(33)29-19-18-13(17-3-2-8-34-17)9-15(21(25)26)28-24(18)35-20(19)22(27)32/h2-10,21H,1H3,(H2,27,32)(H,29,33)(H,30,31).
What are the key properties of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 493.50 g/mol, XLogP of 5.54, 6 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-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19513166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).