N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide

C35H32FN5O4S — CID 139520757

About N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide

N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide (PubChem CID 139520757) has the molecular formula C35H32FN5O4S and a molecular weight of 637.74 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide
• PubChem CID: 139520757
• Molecular Formula: C35H32FN5O4S
• Molecular Weight: 637.74 g/mol
• Exact Mass: 637.22
• IUPAC Name: N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide
• SMILES: COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5=C(C)C=CN(c6ccccc6)C5O)cc4F)c3s2)nc1
• InChI: InChI=1S/C35H32FN5O4S/c1-22-13-16-41(25-6-4-3-5-7-25)35(43)32(22)34(42)40-24-9-11-29(26(36)18-24)45-30-12-14-38-28-19-31(46-33(28)30)27-10-8-23(21-39-27)20-37-15-17-44-2/h3-14,16,18-19,21,35,37,43H,15,17,20H2,1-2H3,(H,40,42)
• InChIKey: GFXLWXBXEQMWNW-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 108.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.74
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide (CID 139520757) is N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide is COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5=C(C)C=CN(c6ccccc6)C5O)cc4F)c3s2)nc1.

What is the InChIKey of N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide?

The InChIKey is GFXLWXBXEQMWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN5O4S/c1-22-13-16-41(25-6-4-3-5-7-25)35(43)32(22)34(42)40-24-9-11-29(26(36)18-24)45-30-12-14-38-28-19-31(46-33(28)30)27-10-8-23(21-39-27)20-37-15-17-44-2/h3-14,16,18-19,21,35,37,43H,15,17,20H2,1-2H3,(H,40,42).

What are the key properties of N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide?

N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide has a molecular weight of 637.74 g/mol, XLogP of 6.63, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-hydroxy-4-methyl-1-phenyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 139520757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).