1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone

C20H27N7O2 — CID 167834086

About 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone

1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone (PubChem CID 167834086) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone
• PubChem CID: 167834086
• Molecular Formula: C20H27N7O2
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.22
• IUPAC Name: 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone
• SMILES: CN1CC(c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)Cc1cn[nH]c1)C2
• InChI: InChI=1S/C20H27N7O2/c1-25-11-16(17-2-3-21-19(24-17)26-4-6-29-7-5-26)20(12-25)13-27(14-20)18(28)8-15-9-22-23-10-15/h2-3,9-10,16H,4-8,11-14H2,1H3,(H,22,23)
• InChIKey: PZRLXDJITXNSTI-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 90.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone?

The IUPAC name of 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone (CID 167834086) is 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone.

What is the SMILES notation for 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone?

The canonical SMILES for 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone is CN1CC(c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)Cc1cn[nH]c1)C2.

What is the InChIKey of 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone?

The InChIKey is PZRLXDJITXNSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-25-11-16(17-2-3-21-19(24-17)26-4-6-29-7-5-26)20(12-25)13-27(14-20)18(28)8-15-9-22-23-10-15/h2-3,9-10,16H,4-8,11-14H2,1H3,(H,22,23).

What are the key properties of 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone?

1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone has a molecular weight of 397.48 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 167834086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).