N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide

C26H31F2N5O4 — CID 146524617

About N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide

N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide (PubChem CID 146524617) has the molecular formula C26H31F2N5O4 and a molecular weight of 515.56 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide
• PubChem CID: 146524617
• Molecular Formula: C26H31F2N5O4
• Molecular Weight: 515.56 g/mol
• Exact Mass: 515.23
• IUPAC Name: N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(C(=O)Nc2ccc3c(c2)NC(=O)C32CCOCC2)C2CCCCC2)n(C(F)F)n1
• InChI: InChI=1S/C26H31F2N5O4/c1-15-13-20(33(32-15)25(27)28)22(34)31-21(16-5-3-2-4-6-16)23(35)29-17-7-8-18-19(14-17)30-24(36)26(18)9-11-37-12-10-26/h7-8,13-14,16,21,25H,2-6,9-12H2,1H3,(H,29,35)(H,30,36)(H,31,34)
• InChIKey: NYUIRFPSZLNPQU-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.56
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide?

The IUPAC name of N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide (CID 146524617) is N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C(=O)Nc2ccc3c(c2)NC(=O)C32CCOCC2)C2CCCCC2)n(C(F)F)n1.

What is the InChIKey of N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide?

The InChIKey is NYUIRFPSZLNPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O4/c1-15-13-20(33(32-15)25(27)28)22(34)31-21(16-5-3-2-4-6-16)23(35)29-17-7-8-18-19(14-17)30-24(36)26(18)9-11-37-12-10-26/h7-8,13-14,16,21,25H,2-6,9-12H2,1H3,(H,29,35)(H,30,36)(H,31,34).

What are the key properties of N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide?

N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 515.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146524617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).