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

C24H17F4N3O4S — CID 19453290

IUPAC4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C24H17F4N3O4S/c25-11-3-5-16(14(26)7-11)34-9-12-4-6-17(35-12)23(33)31-19-18-13(10-1-2-10)8-15(21(27)28)30-24(18)36-20(19)22(29)32/h3-8,10,21H,1-2,9H2,(H2,29,32)(H,31,33)
InChIKeyJLMNKZZSMSGKMI-UHFFFAOYSA-N
MW519.48 g/mol
LogP5.91
Rot. Bonds8

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

4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19453290) has the molecular formula C24H17F4N3O4S and a molecular weight of 519.48 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19453290
Molecular FormulaC24H17F4N3O4S
Molecular Weight519.48 g/mol
Exact Mass519.09
IUPAC Name4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C24H17F4N3O4S/c25-11-3-5-16(14(26)7-11)34-9-12-4-6-17(35-12)23(33)31-19-18-13(10-1-2-10)8-15(21(27)28)30-24(18)36-20(19)22(29)32/h3-8,10,21H,1-2,9H2,(H2,29,32)(H,31,33)
InChIKeyJLMNKZZSMSGKMI-UHFFFAOYSA-N
XLogP5.91
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19453239
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
3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19413895
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-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19450899
3-[[2-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19507203
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-[(2,3-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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19453290) is 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2F)o1.
What is the InChIKey of 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JLMNKZZSMSGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O4S/c25-11-3-5-16(14(26)7-11)34-9-12-4-6-17(35-12)23(33)31-19-18-13(10-1-2-10)8-15(21(27)28)30-24(18)36-20(19)22(29)32/h3-8,10,21H,1-2,9H2,(H2,29,32)(H,31,33).
What are the key properties of 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 519.48 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19453290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).