N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide

C26H21F3N6O2 — CID 155348204

About N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide (PubChem CID 155348204) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide.

Molecular Properties

• Compound Name: N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide
• PubChem CID: 155348204
• Molecular Formula: C26H21F3N6O2
• Molecular Weight: 506.49 g/mol
• Exact Mass: 506.17
• IUPAC Name: N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide
• SMILES: CN(C=O)c1cc(-c2cccc3[nH]ccc23)c(F)cc1N(C)Cc1ccc(-c2nnc(C(F)F)o2)cn1
• InChI: InChI=1S/C26H21F3N6O2/c1-34(13-16-7-6-15(12-31-16)25-32-33-26(37-25)24(28)29)23-11-20(27)19(10-22(23)35(2)14-36)17-4-3-5-21-18(17)8-9-30-21/h3-12,14,24,30H,13H2,1-2H3
• InChIKey: BDQANYBGPJYRMA-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 91.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.49
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide?

The IUPAC name of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide (CID 155348204) is N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide.

What is the SMILES notation for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide?

The canonical SMILES for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide is CN(C=O)c1cc(-c2cccc3[nH]ccc23)c(F)cc1N(C)Cc1ccc(-c2nnc(C(F)F)o2)cn1.

What is the InChIKey of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide?

The InChIKey is BDQANYBGPJYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-34(13-16-7-6-15(12-31-16)25-32-33-26(37-25)24(28)29)23-11-20(27)19(10-22(23)35(2)14-36)17-4-3-5-21-18(17)8-9-30-21/h3-12,14,24,30H,13H2,1-2H3.

What are the key properties of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide?

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide has a molecular weight of 506.49 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-methylamino]-4-fluoro-5-(1H-indol-4-yl)phenyl]-N-methylformamide is sourced from PubChem (CID 155348204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).