2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C23H28ClN5 — CID 120907820

About 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120907820) has the molecular formula C23H28ClN5 and a molecular weight of 409.97 g/mol. Its IUPAC name is 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

• Compound Name: 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
• PubChem CID: 120907820
• Molecular Formula: C23H28ClN5
• Molecular Weight: 409.97 g/mol
• Exact Mass: 409.20
• IUPAC Name: 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
• SMILES: Cl.c1ccc(Cn2cc(CN3CCC4(CCNC4)C3)c(-c3cccnc3)n2)cc1
• InChI: InChI=1S/C23H27N5.ClH/c1-2-5-19(6-3-1)14-28-16-21(22(26-28)20-7-4-10-24-13-20)15-27-12-9-23(18-27)8-11-25-17-23;/h1-7,10,13,16,25H,8-9,11-12,14-15,17-18H2;1H
• InChIKey: VFOINUFRWQBSCW-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.97
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?

The IUPAC name of 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120907820) is 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

What is the SMILES notation for 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?

The canonical SMILES for 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1ccc(Cn2cc(CN3CCC4(CCNC4)C3)c(-c3cccnc3)n2)cc1.

What is the InChIKey of 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?

The InChIKey is VFOINUFRWQBSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5.ClH/c1-2-5-19(6-3-1)14-28-16-21(22(26-28)20-7-4-10-24-13-20)15-27-12-9-23(18-27)8-11-25-17-23;/h1-7,10,13,16,25H,8-9,11-12,14-15,17-18H2;1H.

What are the key properties of 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?

2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 409.97 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120907820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).