N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide

C26H34N6O4 — CID 142495242

About N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide

N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 142495242) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 142495242
• Molecular Formula: C26H34N6O4
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.26
• IUPAC Name: N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cn1nccc1C(=O)NC(C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2)C1CCCCCCC1
• InChI: InChI=1S/C26H34N6O4/c1-32-20(9-12-28-32)23(33)31-22(17-7-5-3-2-4-6-8-17)24(34)30-21-15-19-18(16-27-21)26(25(35)29-19)10-13-36-14-11-26/h9,12,15-17,22H,2-8,10-11,13-14H2,1H3,(H,29,35)(H,31,33)(H,27,30,34)
• InChIKey: MZFKJOHNBIAERD-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide (CID 142495242) is N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC(C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2)C1CCCCCCC1.

What is the InChIKey of N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is MZFKJOHNBIAERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-32-20(9-12-28-32)23(33)31-22(17-7-5-3-2-4-6-8-17)24(34)30-21-15-19-18(16-27-21)26(25(35)29-19)10-13-36-14-11-26/h9,12,15-17,22H,2-8,10-11,13-14H2,1H3,(H,29,35)(H,31,33)(H,27,30,34).

What are the key properties of N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide?

N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 142495242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).