N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide

C32H31F3N6O2 — CID 155729597

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide (PubChem CID 155729597) has the molecular formula C32H31F3N6O2 and a molecular weight of 588.63 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide.

Molecular Properties

• Compound Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide
• PubChem CID: 155729597
• Molecular Formula: C32H31F3N6O2
• Molecular Weight: 588.63 g/mol
• Exact Mass: 588.25
• IUPAC Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide
• SMILES: CN(c1ccccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cc1F)C1CCN(Cc2cccc3cc[nH]c23)CC1
• InChI: InChI=1S/C32H31F3N6O2/c1-39(25-12-15-40(16-13-25)18-24-6-4-5-21-11-14-36-29(21)24)27-7-2-3-8-28(27)41(20-42)19-23-10-9-22(17-26(23)33)31-37-38-32(43-31)30(34)35/h2-11,14,17,20,25,30,36H,12-13,15-16,18-19H2,1H3
• InChIKey: GCJPLUGNQBTURG-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 81.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.63
LogP ≤ 5	6.56
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-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide?

The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide (CID 155729597) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide.

What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide?

The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide is CN(c1ccccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cc1F)C1CCN(Cc2cccc3cc[nH]c23)CC1.

What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide?

The InChIKey is GCJPLUGNQBTURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O2/c1-39(25-12-15-40(16-13-25)18-24-6-4-5-21-11-14-36-29(21)24)27-7-2-3-8-28(27)41(20-42)19-23-10-9-22(17-26(23)33)31-37-38-32(43-31)30(34)35/h2-11,14,17,20,25,30,36H,12-13,15-16,18-19H2,1H3.

What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide?

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide has a molecular weight of 588.63 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[2-[[1-(1H-indol-7-ylmethyl)piperidin-4-yl]-methylamino]phenyl]formamide is sourced from PubChem (CID 155729597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).