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

C23H22FN7O4 — CID 59278203

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

N-(2-amino-2-oxoethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 59278203) has the molecular formula C23H22FN7O4 and a molecular weight of 479.47 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide
• PubChem CID: 59278203
• Molecular Formula: C23H22FN7O4
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.17
• IUPAC Name: N-(2-amino-2-oxoethyl)-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)=O)c(C)o1
• InChI: InChI=1S/C23H22FN7O4/c1-3-17(23-30-20(12(2)35-23)22(34)27-11-19(25)32)29-21(33)16-8-26-10-18-15(16)9-28-31(18)14-6-4-13(24)5-7-14/h4-10,17H,3,11H2,1-2H3,(H2,25,32)(H,27,34)(H,29,33)
• InChIKey: YYSGJAHUTIKJLK-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 158.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 59278203) is N-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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)=O)c(C)o1.

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

The InChIKey is YYSGJAHUTIKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O4/c1-3-17(23-30-20(12(2)35-23)22(34)27-11-19(25)32)29-21(33)16-8-26-10-18-15(16)9-28-31(18)14-6-4-13(24)5-7-14/h4-10,17H,3,11H2,1-2H3,(H2,25,32)(H,27,34)(H,29,33).

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

N-(2-amino-2-oxoethyl)-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 479.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-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 59278203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).