N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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

C38H31F2N5O5S — CID 155779616

About N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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-hydroxy-3-methylpyrrolidin-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 155779616) has the molecular formula C38H31F2N5O5S and a molecular weight of 707.76 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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-hydroxy-3-methylpyrrolidin-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: 155779616
• Molecular Formula: C38H31F2N5O5S
• Molecular Weight: 707.76 g/mol
• Exact Mass: 707.20
• IUPAC Name: N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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: CC1(O)CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)c6c7c(cn(-c8ccc(F)cc8)c6=O)CCO7)cc5F)c4s3)nc2)C1
• InChI: InChI=1S/C38H31F2N5O5S/c1-38(48)12-14-44(21-38)19-22-2-8-28(42-18-22)32-17-29-35(51-32)31(10-13-41-29)50-30-9-5-25(16-27(30)40)43-36(46)33-34-23(11-15-49-34)20-45(37(33)47)26-6-3-24(39)4-7-26/h2-10,13,16-18,20,48H,11-12,14-15,19,21H2,1H3,(H,43,46)
• InChIKey: WQAMRVJISOUNEH-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 118.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.76
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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-hydroxy-3-methylpyrrolidin-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 155779616) is N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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-hydroxy-3-methylpyrrolidin-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-hydroxy-3-methylpyrrolidin-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 CC1(O)CCN(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-hydroxy-3-methylpyrrolidin-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 WQAMRVJISOUNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31F2N5O5S/c1-38(48)12-14-44(21-38)19-22-2-8-28(42-18-22)32-17-29-35(51-32)31(10-13-41-29)50-30-9-5-25(16-27(30)40)43-36(46)33-34-23(11-15-49-34)20-45(37(33)47)26-6-3-24(39)4-7-26/h2-10,13,16-18,20,48H,11-12,14-15,19,21H2,1H3,(H,43,46).

What are the key properties of N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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-hydroxy-3-methylpyrrolidin-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 707.76 g/mol, XLogP of 6.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-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 155779616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).