N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide

C25H24F3N5O3 — CID 56835160

About N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide

N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide (PubChem CID 56835160) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide
• PubChem CID: 56835160
• Molecular Formula: C25H24F3N5O3
• Molecular Weight: 499.49 g/mol
• Exact Mass: 499.18
• IUPAC Name: N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide
• SMILES: CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)[nH]c12
• InChI: InChI=1S/C25H24F3N5O3/c1-33-9-6-24(7-10-33)14-30-23(35)18-13-19(31-21(18)24)15-5-8-29-20(12-15)32-22(34)16-3-2-4-17(11-16)36-25(26,27)28/h2-5,8,11-13,31H,6-7,9-10,14H2,1H3,(H,30,35)(H,29,32,34)
• InChIKey: LIGULLZQUPLXHT-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?

The IUPAC name of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide (CID 56835160) is N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide is CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)[nH]c12.

What is the InChIKey of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?

The InChIKey is LIGULLZQUPLXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-33-9-6-24(7-10-33)14-30-23(35)18-13-19(31-21(18)24)15-5-8-29-20(12-15)32-22(34)16-3-2-4-17(11-16)36-25(26,27)28/h2-5,8,11-13,31H,6-7,9-10,14H2,1H3,(H,30,35)(H,29,32,34).

What are the key properties of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide?

N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 499.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 56835160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).