(1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C18H24N6O2 — CID 131660131

About (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 131660131) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 131660131
• Molecular Formula: C18H24N6O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.20
• IUPAC Name: (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: Cc1cnc(NCCC2CCOC23CN(C(=O)c2ccn(C)n2)C3)nc1
• InChI: InChI=1S/C18H24N6O2/c1-13-9-20-17(21-10-13)19-6-3-14-5-8-26-18(14)11-24(12-18)16(25)15-4-7-23(2)22-15/h4,7,9-10,14H,3,5-6,8,11-12H2,1-2H3,(H,19,20,21)
• InChIKey: GQBHPGUGXCTLIM-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 131660131) is (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1cnc(NCCC2CCOC23CN(C(=O)c2ccn(C)n2)C3)nc1.

What is the InChIKey of (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is GQBHPGUGXCTLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-9-20-17(21-10-13)19-6-3-14-5-8-26-18(14)11-24(12-18)16(25)15-4-7-23(2)22-15/h4,7,9-10,14H,3,5-6,8,11-12H2,1-2H3,(H,19,20,21).

What are the key properties of (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

(1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrazol-3-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 131660131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).