8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide

C25H27N7O4 — CID 146267954

About 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide

8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 146267954) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

• Compound Name: 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide
• PubChem CID: 146267954
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide
• SMILES: CC(=O)N1CCC2(CC1)CCN(C(=O)Nc1ccc(Oc3ccnc(-c4cnn(C)c4)c3)cn1)C2=O
• InChI: InChI=1S/C25H27N7O4/c1-17(33)31-10-6-25(7-11-31)8-12-32(23(25)34)24(35)29-22-4-3-20(15-27-22)36-19-5-9-26-21(13-19)18-14-28-30(2)16-18/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,27,29,35)
• InChIKey: JBWKMGHNAJYYPZ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 122.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide?

The IUPAC name of 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 146267954) is 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide.

What is the SMILES notation for 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide?

The canonical SMILES for 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide is CC(=O)N1CCC2(CC1)CCN(C(=O)Nc1ccc(Oc3ccnc(-c4cnn(C)c4)c3)cn1)C2=O.

What is the InChIKey of 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide?

The InChIKey is JBWKMGHNAJYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-17(33)31-10-6-25(7-11-31)8-12-32(23(25)34)24(35)29-22-4-3-20(15-27-22)36-19-5-9-26-21(13-19)18-14-28-30(2)16-18/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,27,29,35).

What are the key properties of 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide?

8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 146267954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).