4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

C25H27N7O5 — CID 77261424

About 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 77261424) has the molecular formula C25H27N7O5 and a molecular weight of 505.54 g/mol. Its IUPAC name is 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 77261424
• Molecular Formula: C25H27N7O5
• Molecular Weight: 505.54 g/mol
• Exact Mass: 505.21
• IUPAC Name: 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: CC(=O)c1c(C2CC3CCC(C2)N3C(=O)CO)nc2c(-c3ccc(C4COC(=O)N4)nc3)cnn2c1N
• InChI: InChI=1S/C25H27N7O5/c1-12(34)21-22(14-6-15-3-4-16(7-14)31(15)20(35)10-33)30-24-17(9-28-32(24)23(21)26)13-2-5-18(27-8-13)19-11-37-25(36)29-19/h2,5,8-9,14-16,19,33H,3-4,6-7,10-11,26H2,1H3,(H,29,36)
• InChIKey: MYFMWQQUHLFKSZ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 165.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.54
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 77261424) is 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is CC(=O)c1c(C2CC3CCC(C2)N3C(=O)CO)nc2c(-c3ccc(C4COC(=O)N4)nc3)cnn2c1N.

What is the InChIKey of 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is MYFMWQQUHLFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O5/c1-12(34)21-22(14-6-15-3-4-16(7-14)31(15)20(35)10-33)30-24-17(9-28-32(24)23(21)26)13-2-5-18(27-8-13)19-11-37-25(36)29-19/h2,5,8-9,14-16,19,33H,3-4,6-7,10-11,26H2,1H3,(H,29,36).

What are the key properties of 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?

4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 505.54 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[6-acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 77261424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).