5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine

C67H45ClF8N24O2 — CID 174365409

About 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine

5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 174365409) has the molecular formula C67H45ClF8N24O2 and a molecular weight of 1405.70 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 174365409
• Molecular Formula: C67H45ClF8N24O2
• Molecular Weight: 1405.70 g/mol
• Exact Mass: 1404.37
• IUPAC Name: 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine
• SMILES: Cn1cc(-c2nc3c(-c4ccc(CNc5cc(C(F)(F)F)cnn5)c(F)c4)cc(Cn4cc(-c5nc6c(-c7ccc(CNc8nnc(C(F)F)o8)c(F)c7)cc(Cn7cc(-c8nc9c(-c%10ccc(CNc%11nnc(-c%12cccc(Cl)c%12)o%11)c(F)c%10)ccnc9[nH]8)cn7)nc6[nH]5)cn4)nc3[nH]2)cn1
• InChI: InChI=1S/C67H45ClF8N24O2/c1-98-27-39(23-82-98)57-88-54-47(33-6-9-36(50(70)15-33)20-78-52-17-42(26-81-93-52)67(74,75)76)18-44(85-61(54)91-57)31-100-29-41(25-84-100)59-89-55-48(34-7-10-38(51(71)16-34)22-80-66-97-95-64(102-66)56(72)73)19-45(86-62(55)92-59)30-99-28-40(24-83-99)58-87-53-46(11-12-77-60(53)90-58)32-5-8-37(49(69)14-32)21-79-65-96-94-63(101-65)35-3-2-4-43(68)13-35/h2-19,23-29,56H,20-22,30-31H2,1H3,(H,78,93)(H,79,96)(H,80,97)(H,77,87,90)(H,85,88,91)(H,86,89,92)
• InChIKey: UTCLCWAUOCMOSD-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 317.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1405.70
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 174365409) is 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine is Cn1cc(-c2nc3c(-c4ccc(CNc5cc(C(F)(F)F)cnn5)c(F)c4)cc(Cn4cc(-c5nc6c(-c7ccc(CNc8nnc(C(F)F)o8)c(F)c7)cc(Cn7cc(-c8nc9c(-c%10ccc(CNc%11nnc(-c%12cccc(Cl)c%12)o%11)c(F)c%10)ccnc9[nH]8)cn7)nc6[nH]5)cn4)nc3[nH]2)cn1.

What is the InChIKey of 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is UTCLCWAUOCMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45ClF8N24O2/c1-98-27-39(23-82-98)57-88-54-47(33-6-9-36(50(70)15-33)20-78-52-17-42(26-81-93-52)67(74,75)76)18-44(85-61(54)91-57)31-100-29-41(25-84-100)59-89-55-48(34-7-10-38(51(71)16-34)22-80-66-97-95-64(102-66)56(72)73)19-45(86-62(55)92-59)30-99-28-40(24-83-99)58-87-53-46(11-12-77-60(53)90-58)32-5-8-37(49(69)14-32)21-79-65-96-94-63(101-65)35-3-2-4-43(68)13-35/h2-19,23-29,56H,20-22,30-31H2,1H3,(H,78,93)(H,79,96)(H,80,97)(H,77,87,90)(H,85,88,91)(H,86,89,92).

What are the key properties of 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine?

5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 1405.70 g/mol, XLogP of 13.81, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-N-[[4-[2-[1-[[7-[4-[[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-2-[1-[[7-[3-fluoro-4-[[[5-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 174365409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).