5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H23N7O3 — CID 164765448

About 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164765448) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 164765448
• Molecular Formula: C23H23N7O3
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.19
• IUPAC Name: 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)on3)cn2)c(C(N)=O)c1N
• InChI: InChI=1S/C23H23N7O3/c1-13(2)30-22(24)20(23(25)32)21(28-30)16-9-8-14(12-26-16)10-19(31)27-18-11-17(33-29-18)15-6-4-3-5-7-15/h3-9,11-13H,10,24H2,1-2H3,(H2,25,32)(H,27,29,31)
• InChIKey: PDUOWHIBVQPPMR-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 154.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164765448) is 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)on3)cn2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is PDUOWHIBVQPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-13(2)30-22(24)20(23(25)32)21(28-30)16-9-8-14(12-26-16)10-19(31)27-18-11-17(33-29-18)15-6-4-3-5-7-15/h3-9,11-13H,10,24H2,1-2H3,(H2,25,32)(H,27,29,31).

What are the key properties of 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[5-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164765448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).