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

C25H29F2N5O4 — CID 146524613

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

N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 146524613) has the molecular formula C25H29F2N5O4 and a molecular weight of 501.53 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 146524613
• Molecular Formula: C25H29F2N5O4
• Molecular Weight: 501.53 g/mol
• Exact Mass: 501.22
• IUPAC Name: N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cn1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C25H29F2N5O4/c1-32-19(6-11-28-32)21(33)31-20(15-4-7-25(26,27)8-5-15)22(34)29-16-2-3-17-18(14-16)30-23(35)24(17)9-12-36-13-10-24/h2-3,6,11,14-15,20H,4-5,7-10,12-13H2,1H3,(H,29,34)(H,30,35)(H,31,33)
• InChIKey: SIELPDJYEZLKCH-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.53
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide (CID 146524613) is N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCC(F)(F)CC1.

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

The InChIKey is SIELPDJYEZLKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O4/c1-32-19(6-11-28-32)21(33)31-20(15-4-7-25(26,27)8-5-15)22(34)29-16-2-3-17-18(14-16)30-23(35)24(17)9-12-36-13-10-24/h2-3,6,11,14-15,20H,4-5,7-10,12-13H2,1H3,(H,29,34)(H,30,35)(H,31,33).

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

N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 501.53 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146524613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).