2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

C23H17F4N9O — CID 162722091

About 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722091) has the molecular formula C23H17F4N9O and a molecular weight of 511.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 162722091
• Molecular Formula: C23H17F4N9O
• Molecular Weight: 511.44 g/mol
• Exact Mass: 511.15
• IUPAC Name: 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
• SMILES: Fc1c(Cn2nnc(-c3cccc(-c4nc5c([nH]4)CNCC5)c3)n2)ccc(-c2nnc(C(F)F)o2)c1F
• InChI: InChI=1S/C23H17F4N9O/c24-17-13(4-5-14(18(17)25)22-32-33-23(37-22)19(26)27)10-36-34-21(31-35-36)12-3-1-2-11(8-12)20-29-15-6-7-28-9-16(15)30-20/h1-5,8,19,28H,6-7,9-10H2,(H,29,30)
• InChIKey: BBBGHQWDINBKCO-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 123.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.44
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722091) is 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is Fc1c(Cn2nnc(-c3cccc(-c4nc5c([nH]4)CNCC5)c3)n2)ccc(-c2nnc(C(F)F)o2)c1F.

What is the InChIKey of 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is BBBGHQWDINBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N9O/c24-17-13(4-5-14(18(17)25)22-32-33-23(37-22)19(26)27)10-36-34-21(31-35-36)12-3-1-2-11(8-12)20-29-15-6-7-28-9-16(15)30-20/h1-5,8,19,28H,6-7,9-10H2,(H,29,30).

What are the key properties of 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?

2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 511.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-[2,3-difluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).