7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one

C38H30F2N4O4S — CID 167627134

About 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one

7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one (PubChem CID 167627134) has the molecular formula C38H30F2N4O4S and a molecular weight of 676.75 g/mol. Its IUPAC name is 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one.

Molecular Properties

• Compound Name: 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one
• PubChem CID: 167627134
• Molecular Formula: C38H30F2N4O4S
• Molecular Weight: 676.75 g/mol
• Exact Mass: 676.20
• IUPAC Name: 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one
• SMILES: CC1CN(Cc2ccc(-c3cc4nccc(Oc5ccc(CC(=O)c6c7c(cn(-c8ccc(F)cc8)c6=O)CCO7)cc5F)c4s3)nc2)C1
• InChI: InChI=1S/C38H30F2N4O4S/c1-22-18-43(19-22)20-24-2-8-29(42-17-24)34-16-30-37(49-34)33(10-12-41-30)48-32-9-3-23(14-28(32)40)15-31(45)35-36-25(11-13-47-36)21-44(38(35)46)27-6-4-26(39)5-7-27/h2-10,12,14,16-17,21-22H,11,13,15,18-20H2,1H3
• InChIKey: NGPMULOPVRPRDH-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 86.55 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.75
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one?

The IUPAC name of 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one (CID 167627134) is 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one.

What is the SMILES notation for 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one?

The canonical SMILES for 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one is CC1CN(Cc2ccc(-c3cc4nccc(Oc5ccc(CC(=O)c6c7c(cn(-c8ccc(F)cc8)c6=O)CCO7)cc5F)c4s3)nc2)C1.

What is the InChIKey of 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one?

The InChIKey is NGPMULOPVRPRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30F2N4O4S/c1-22-18-43(19-22)20-24-2-8-29(42-17-24)34-16-30-37(49-34)33(10-12-41-30)48-32-9-3-23(14-28(32)40)15-31(45)35-36-25(11-13-47-36)21-44(38(35)46)27-6-4-26(39)5-7-27/h2-10,12,14,16-17,21-22H,11,13,15,18-20H2,1H3.

What are the key properties of 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one?

7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one has a molecular weight of 676.75 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one is sourced from PubChem (CID 167627134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).