6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C27H17F4N3O4S — CID 19453239

IUPAC6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C27H17F4N3O4S/c28-14-6-8-19(17(29)10-14)37-12-15-7-9-20(38-15)26(36)34-22-21-16(13-4-2-1-3-5-13)11-18(24(30)31)33-27(21)39-23(22)25(32)35/h1-11,24H,12H2,(H2,32,35)(H,34,36)
InChIKeyYZQKAVYIKWBHIO-UHFFFAOYSA-N
MW555.51 g/mol
LogP6.70
Rot. Bonds8

About 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19453239) has the molecular formula C27H17F4N3O4S and a molecular weight of 555.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19453239
Molecular FormulaC27H17F4N3O4S
Molecular Weight555.51 g/mol
Exact Mass555.09
IUPAC Name6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C27H17F4N3O4S/c28-14-6-8-19(17(29)10-14)37-12-15-7-9-20(38-15)26(36)34-22-21-16(13-4-2-1-3-5-13)11-18(24(30)31)33-27(21)39-23(22)25(32)35/h1-11,24H,12H2,(H2,32,35)(H,34,36)
InChIKeyYZQKAVYIKWBHIO-UHFFFAOYSA-N
XLogP6.70
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.51
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19413138
6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19453369
6-(difluoromethyl)-3-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19412726
4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19453290
6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19458958
3-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19458794
3-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19450402
3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19415856
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19461525
4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19467650
6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19452817
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19465980

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19453239) is 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2F)o1.
What is the InChIKey of 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YZQKAVYIKWBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F4N3O4S/c28-14-6-8-19(17(29)10-14)37-12-15-7-9-20(38-15)26(36)34-22-21-16(13-4-2-1-3-5-13)11-18(24(30)31)33-27(21)39-23(22)25(32)35/h1-11,24H,12H2,(H2,32,35)(H,34,36).
What are the key properties of 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 555.51 g/mol, XLogP of 6.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19453239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).