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

C24H16F3N5O4S — CID 19269494

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

6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19269494) has the molecular formula C24H16F3N5O4S and a molecular weight of 527.48 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19269494
• Molecular Formula: C24H16F3N5O4S
• Molecular Weight: 527.48 g/mol
• Exact Mass: 527.09
• IUPAC Name: 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1ccn(COc2ccc(F)cc2)n1
• InChI: InChI=1S/C24H16F3N5O4S/c25-12-3-5-13(6-4-12)36-11-32-8-7-15(31-32)23(34)30-19-18-14(17-2-1-9-35-17)10-16(21(26)27)29-24(18)37-20(19)22(28)33/h1-10,21H,11H2,(H2,28,33)(H,30,34)
• InChIKey: VAGCQQPUQDODHD-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 125.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.48
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19269494) is 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1NC(=O)c1ccn(COc2ccc(F)cc2)n1.

What is the InChIKey of 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is VAGCQQPUQDODHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O4S/c25-12-3-5-13(6-4-12)36-11-32-8-7-15(31-32)23(34)30-19-18-14(17-2-1-9-35-17)10-16(21(26)27)29-24(18)37-20(19)22(28)33/h1-10,21H,11H2,(H2,28,33)(H,30,34).

What are the key properties of 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 527.48 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19269494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).