3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

C23H26FN5O5 — CID 29087514

About 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 29087514) has the molecular formula C23H26FN5O5 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
• PubChem CID: 29087514
• Molecular Formula: C23H26FN5O5
• Molecular Weight: 471.49 g/mol
• Exact Mass: 471.19
• IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
• SMILES: COc1ccc(CN2CCc3c(C(=O)NCc4nonc4C)c(OC)cc(=O)n3CC2)cc1F
• InChI: InChI=1S/C23H26FN5O5/c1-14-17(27-34-26-14)12-25-23(31)22-18-6-7-28(8-9-29(18)21(30)11-20(22)33-3)13-15-4-5-19(32-2)16(24)10-15/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,25,31)
• InChIKey: LIOAMBQWSNTALZ-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 111.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.49
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?

The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 29087514) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?

The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1ccc(CN2CCc3c(C(=O)NCc4nonc4C)c(OC)cc(=O)n3CC2)cc1F.

What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?

The InChIKey is LIOAMBQWSNTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5/c1-14-17(27-34-26-14)12-25-23(31)22-18-6-7-28(8-9-29(18)21(30)11-20(22)33-3)13-15-4-5-19(32-2)16(24)10-15/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,25,31).

What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?

3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 29087514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).