N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

C24H33N5O4 — CID 3436863

About N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3436863) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3436863
• Molecular Formula: C24H33N5O4
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.25
• IUPAC Name: N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1
• InChI: InChI=1S/C24H33N5O4/c1-23(2,3)19-14-17(27(4)26-19)22(32)29-12-9-24(16-29)7-10-28(11-8-24)20(30)15-25-21(31)18-6-5-13-33-18/h5-6,13-14H,7-12,15-16H2,1-4H3,(H,25,31)
• InChIKey: YOEQMGRPXQQIRD-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 100.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 3436863) is N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1.

What is the InChIKey of N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is YOEQMGRPXQQIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-23(2,3)19-14-17(27(4)26-19)22(32)29-12-9-24(16-29)7-10-28(11-8-24)20(30)15-25-21(31)18-6-5-13-33-18/h5-6,13-14H,7-12,15-16H2,1-4H3,(H,25,31).

What are the key properties of N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3436863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).