N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide

C23H20FN7O3 — CID 59278347

About N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide

N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 59278347) has the molecular formula C23H20FN7O3 and a molecular weight of 461.46 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide
• PubChem CID: 59278347
• Molecular Formula: C23H20FN7O3
• Molecular Weight: 461.46 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC#N)c(C)o1
• InChI: InChI=1S/C23H20FN7O3/c1-3-18(23-30-20(13(2)34-23)22(33)27-9-8-25)29-21(32)17-10-26-12-19-16(17)11-28-31(19)15-6-4-14(24)5-7-15/h4-7,10-12,18H,3,9H2,1-2H3,(H,27,33)(H,29,32)
• InChIKey: DXRXBZJXEVFSCX-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 138.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.46
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 59278347) is N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC#N)c(C)o1.

What is the InChIKey of N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?

The InChIKey is DXRXBZJXEVFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O3/c1-3-18(23-30-20(13(2)34-23)22(33)27-9-8-25)29-21(32)17-10-26-12-19-16(17)11-28-31(19)15-6-4-14(24)5-7-15/h4-7,10-12,18H,3,9H2,1-2H3,(H,27,33)(H,29,32).

What are the key properties of N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?

N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 461.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59278347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).