7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C22H29N5O4 — CID 175643514

About 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643514) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175643514
• Molecular Formula: C22H29N5O4
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.22
• IUPAC Name: 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1ccc(-c2cc(C(=O)N3CCC4(CCN(CCN5CCOCC5)C4=O)C3)n[nH]2)o1
• InChI: InChI=1S/C22H29N5O4/c1-16-2-3-19(31-16)17-14-18(24-23-17)20(28)27-7-5-22(15-27)4-6-26(21(22)29)9-8-25-10-12-30-13-11-25/h2-3,14H,4-13,15H2,1H3,(H,23,24)
• InChIKey: NBXLCWKNCCPCCV-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 94.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175643514) is 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccc(-c2cc(C(=O)N3CCC4(CCN(CCN5CCOCC5)C4=O)C3)n[nH]2)o1.

What is the InChIKey of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is NBXLCWKNCCPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-16-2-3-19(31-16)17-14-18(24-23-17)20(28)27-7-5-22(15-27)4-6-26(21(22)29)9-8-25-10-12-30-13-11-25/h2-3,14H,4-13,15H2,1H3,(H,23,24).

What are the key properties of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 427.51 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).