N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

C31H22FN5O4S — CID 155779673

About N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 155779673) has the molecular formula C31H22FN5O4S and a molecular weight of 579.61 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
• PubChem CID: 155779673
• Molecular Formula: C31H22FN5O4S
• Molecular Weight: 579.61 g/mol
• Exact Mass: 579.14
• IUPAC Name: N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
• SMILES: Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5c6c(cn(-c7ccccc7)c5=O)CCO6)cc4F)c3s2)c1
• InChI: InChI=1S/C31H22FN5O4S/c1-36-16-23(34-17-36)26-14-22-29(42-26)25(9-11-33-22)41-24-8-7-19(13-21(24)32)35-30(38)27-28-18(10-12-40-28)15-37(31(27)39)20-5-3-2-4-6-20/h2-9,11,13-17H,10,12H2,1H3,(H,35,38)
• InChIKey: HBVDNFXVRYOMON-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.61
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (CID 155779673) is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5c6c(cn(-c7ccccc7)c5=O)CCO6)cc4F)c3s2)c1.

What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

The InChIKey is HBVDNFXVRYOMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN5O4S/c1-36-16-23(34-17-36)26-14-22-29(42-26)25(9-11-33-22)41-24-8-7-19(13-21(24)32)35-30(38)27-28-18(10-12-40-28)15-37(31(27)39)20-5-3-2-4-6-20/h2-9,11,13-17H,10,12H2,1H3,(H,35,38).

What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 579.61 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-6-oxo-5-phenyl-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 155779673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).