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

C23H23N7O3 — CID 163291897

IUPAC5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C23H23N7O3/c1-13(2)30-22(24)20(23(25)32)21(28-30)16-9-8-14(12-26-16)10-18(31)27-19-11-17(29-33-19)15-6-4-3-5-7-15/h3-9,11-13H,10,24H2,1-2H3,(H2,25,32)(H,27,31)
InChIKeyJMYJCLKHCCWLOV-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.04
Rot. Bonds7

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

5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291897) 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-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291897
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C23H23N7O3/c1-13(2)30-22(24)20(23(25)32)21(28-30)16-9-8-14(12-26-16)10-18(31)27-19-11-17(29-33-19)15-6-4-3-5-7-15/h3-9,11-13H,10,24H2,1-2H3,(H2,25,32)(H,27,31)
InChIKeyJMYJCLKHCCWLOV-UHFFFAOYSA-N
XLogP3.04
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291897) is 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)no3)cn2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JMYJCLKHCCWLOV-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)10-18(31)27-19-11-17(29-33-19)15-6-4-3-5-7-15/h3-9,11-13H,10,24H2,1-2H3,(H2,25,32)(H,27,31).
What are the key properties of 5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-oxo-2-[(3-phenyl-1,2-oxazol-5-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-[(3-phenyl-1,2-oxazol-5-yl)amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).