5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H28F2N6O3 — CID 163292217

About 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292217) has the molecular formula C23H28F2N6O3 and a molecular weight of 474.51 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 163292217
• Molecular Formula: C23H28F2N6O3
• Molecular Weight: 474.51 g/mol
• Exact Mass: 474.22
• IUPAC Name: 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC(C)(C)C)no3)c(F)c2F)c(C(N)=O)c1N
• InChI: InChI=1S/C23H28F2N6O3/c1-11(2)31-21(26)17(22(27)33)20(29-31)14-7-6-12(18(24)19(14)25)8-15(32)28-16-9-13(30-34-16)10-23(3,4)5/h6-7,9,11H,8,10,26H2,1-5H3,(H2,27,33)(H,28,32)
• InChIKey: SMMUANSWUTVPDV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.51
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292217) is 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC(C)(C)C)no3)c(F)c2F)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is SMMUANSWUTVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N6O3/c1-11(2)31-21(26)17(22(27)33)20(29-31)14-7-6-12(18(24)19(14)25)8-15(32)28-16-9-13(30-34-16)10-23(3,4)5/h6-7,9,11H,8,10,26H2,1-5H3,(H2,27,33)(H,28,32).

What are the key properties of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2,3-difluorophenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).