7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

C17H23N5 — CID 97472683

About 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472683) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

• Compound Name: 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
• PubChem CID: 97472683
• Molecular Formula: C17H23N5
• Molecular Weight: 297.41 g/mol
• Exact Mass: 297.20
• IUPAC Name: 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
• SMILES: Cc1cccnc1N1CC2(CCN(Cc3cnn(C)c3)C2)C1
• InChI: InChI=1S/C17H23N5/c1-14-4-3-6-18-16(14)22-12-17(13-22)5-7-21(11-17)10-15-8-19-20(2)9-15/h3-4,6,8-9H,5,7,10-13H2,1-2H3
• InChIKey: FFGZXSBCQOEMAS-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.41
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?

The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (CID 97472683) is 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.

What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?

The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is Cc1cccnc1N1CC2(CCN(Cc3cnn(C)c3)C2)C1.

What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?

The InChIKey is FFGZXSBCQOEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-4-3-6-18-16(14)22-12-17(13-22)5-7-21(11-17)10-15-8-19-20(2)9-15/h3-4,6,8-9H,5,7,10-13H2,1-2H3.

What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?

7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 297.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).