ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C27H32FN5O3 — CID 144843461

About ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 144843461) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 144843461
• Molecular Formula: C27H32FN5O3
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.25
• IUPAC Name: ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CC.CCCCCN(C=O)c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(F)cc4)c3C2=O)cc1
• InChI: InChI=1S/C25H26FN5O3.C2H6/c1-2-3-4-14-29(16-32)18-9-11-19(12-10-18)30-15-13-21-22(24(27)33)28-31(23(21)25(30)34)20-7-5-17(26)6-8-20;1-2/h5-12,16H,2-4,13-15H2,1H3,(H2,27,33);1-2H3
• InChIKey: LZIBNWPHQRLTGP-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 101.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 144843461) is ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CC.CCCCCN(C=O)c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(F)cc4)c3C2=O)cc1.

What is the InChIKey of ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is LZIBNWPHQRLTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3.C2H6/c1-2-3-4-14-29(16-32)18-9-11-19(12-10-18)30-15-13-21-22(24(27)33)28-31(23(21)25(30)34)20-7-5-17(26)6-8-20;1-2/h5-12,16H,2-4,13-15H2,1H3,(H2,27,33);1-2H3.

What are the key properties of ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 144843461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).