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

C37H29F2N5O4S — CID 155779638

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

N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 155779638) has the molecular formula C37H29F2N5O4S and a molecular weight of 677.73 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
• PubChem CID: 155779638
• Molecular Formula: C37H29F2N5O4S
• Molecular Weight: 677.73 g/mol
• Exact Mass: 677.19
• IUPAC Name: N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
• SMILES: CC1CN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)c6c7c(cn(-c8ccc(F)cc8)c6=O)CCO7)cc5F)c4s3)nc2)C1
• InChI: InChI=1S/C37H29F2N5O4S/c1-21-17-43(18-21)19-22-2-8-28(41-16-22)32-15-29-35(49-32)31(10-12-40-29)48-30-9-5-25(14-27(30)39)42-36(45)33-34-23(11-13-47-34)20-44(37(33)46)26-6-3-24(38)4-7-26/h2-10,12,14-16,20-21H,11,13,17-19H2,1H3,(H,42,45)
• InChIKey: HOSBHAVSAZDEGX-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.73
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (CID 155779638) is N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

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

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

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

The InChIKey is HOSBHAVSAZDEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29F2N5O4S/c1-21-17-43(18-21)19-22-2-8-28(41-16-22)32-15-29-35(49-32)31(10-12-40-29)48-30-9-5-25(14-27(30)39)42-36(45)33-34-23(11-13-47-34)20-44(37(33)46)26-6-3-24(38)4-7-26/h2-10,12,14-16,20-21H,11,13,17-19H2,1H3,(H,42,45).

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

N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 677.73 g/mol, XLogP of 7.22, 8 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-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 155779638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).