1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C26H26FN5O5 — CID 118929158

About 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118929158) has the molecular formula C26H26FN5O5 and a molecular weight of 507.52 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 118929158
• Molecular Formula: C26H26FN5O5
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.19
• IUPAC Name: 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F
• InChI: InChI=1S/C26H26FN5O5/c1-3-37-21-7-5-17(13-19(21)27)32-24-18(23(29-32)25(28)34)8-9-30(26(24)35)16-4-6-20(15(2)12-16)31-10-11-36-14-22(31)33/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,28,34)
• InChIKey: KMUFOPUTEDNEDV-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 119.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118929158) is 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F.

What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is KMUFOPUTEDNEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O5/c1-3-37-21-7-5-17(13-19(21)27)32-24-18(23(29-32)25(28)34)8-9-30(26(24)35)16-4-6-20(15(2)12-16)31-10-11-36-14-22(31)33/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,28,34).

What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118929158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).