1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one

C30H26F3N7O2 — CID 155341717

About 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one (PubChem CID 155341717) has the molecular formula C30H26F3N7O2 and a molecular weight of 573.58 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one
• PubChem CID: 155341717
• Molecular Formula: C30H26F3N7O2
• Molecular Weight: 573.58 g/mol
• Exact Mass: 573.21
• IUPAC Name: 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one
• SMILES: CN1CCC[C@@H](n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)c(-c4cccc5[nH]ccc45)cc32)C1
• InChI: InChI=1S/C30H26F3N7O2/c1-38-11-3-4-19(16-38)40-26-12-22(20-5-2-6-24-21(20)9-10-34-24)23(31)13-25(26)39(30(40)41)15-18-8-7-17(14-35-18)28-36-37-29(42-28)27(32)33/h2,5-10,12-14,19,27,34H,3-4,11,15-16H2,1H3/t19-/m1/s1
• InChIKey: YYTIQAUJABDPHO-LJQANCHMSA-N
• XLogP: 5.79
• TPSA: 97.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.58
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one?

The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one (CID 155341717) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one.

What is the SMILES notation for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one?

The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one is CN1CCC[C@@H](n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)c(-c4cccc5[nH]ccc45)cc32)C1.

What is the InChIKey of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one?

The InChIKey is YYTIQAUJABDPHO-LJQANCHMSA-N. The full InChI is InChI=1S/C30H26F3N7O2/c1-38-11-3-4-19(16-38)40-26-12-22(20-5-2-6-24-21(20)9-10-34-24)23(31)13-25(26)39(30(40)41)15-18-8-7-17(14-35-18)28-36-37-29(42-28)27(32)33/h2,5-10,12-14,19,27,34H,3-4,11,15-16H2,1H3/t19-/m1/s1.

What are the key properties of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one?

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one has a molecular weight of 573.58 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-5-(1H-indol-4-yl)-3-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-one is sourced from PubChem (CID 155341717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).