6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C30H23F2N3O4S — CID 19458958

About 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19458958) has the molecular formula C30H23F2N3O4S and a molecular weight of 559.59 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19458958
• Molecular Formula: C30H23F2N3O4S
• Molecular Weight: 559.59 g/mol
• Exact Mass: 559.14
• IUPAC Name: 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
• InChI: InChI=1S/C30H23F2N3O4S/c31-27(32)22-14-21(17-5-2-1-3-6-17)24-25(26(28(33)36)40-30(24)34-22)35-29(37)23-12-11-20(39-23)15-38-19-10-9-16-7-4-8-18(16)13-19/h1-3,5-6,9-14,27H,4,7-8,15H2,(H2,33,36)(H,35,37)
• InChIKey: KGIQKOINJXAOGY-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 107.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.59
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 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) is 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1.

What is the InChIKey of 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is KGIQKOINJXAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O4S/c31-27(32)22-14-21(17-5-2-1-3-6-17)24-25(26(28(33)36)40-30(24)34-22)35-29(37)23-12-11-20(39-23)15-38-19-10-9-16-7-4-8-18(16)13-19/h1-3,5-6,9-14,27H,4,7-8,15H2,(H2,33,36)(H,35,37).

What are the key properties of 6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 559.59 g/mol, XLogP of 6.91, 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-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19458958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).