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

C48H31ClF2N16O2 — CID 171803496

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

5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 171803496) has the molecular formula C48H31ClF2N16O2 and a molecular weight of 937.33 g/mol. Its IUPAC name is 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 171803496
• Molecular Formula: C48H31ClF2N16O2
• Molecular Weight: 937.33 g/mol
• Exact Mass: 936.25
• IUPAC Name: 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine
• SMILES: Fc1cc(-c2ccnc3nc(-c4cnn(-c5cccc(-c6nnc(NCc7ccc(-c8ccnc9nc(-c%10cn[nH]c%10)[nH]c89)cc7F)o6)c5)c4)[nH]c23)ccc1CNc1nnc(-c2cccc(Cl)c2)o1
• InChI: InChI=1S/C48H31ClF2N16O2/c49-33-5-1-3-27(15-33)45-63-65-47(68-45)54-19-29-10-8-26(18-38(29)51)36-12-14-53-44-40(36)60-42(62-44)32-23-58-67(24-32)34-6-2-4-28(16-34)46-64-66-48(69-46)55-20-30-9-7-25(17-37(30)50)35-11-13-52-43-39(35)59-41(61-43)31-21-56-57-22-31/h1-18,21-24H,19-20H2,(H,54,65)(H,55,66)(H,56,57)(H,52,59,61)(H,53,60,62)
• InChIKey: LNPTUNSDGJNDCB-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 231.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.33
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 171803496) is 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine.

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

The canonical SMILES for 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine is Fc1cc(-c2ccnc3nc(-c4cnn(-c5cccc(-c6nnc(NCc7ccc(-c8ccnc9nc(-c%10cn[nH]c%10)[nH]c89)cc7F)o6)c5)c4)[nH]c23)ccc1CNc1nnc(-c2cccc(Cl)c2)o1.

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

The InChIKey is LNPTUNSDGJNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31ClF2N16O2/c49-33-5-1-3-27(15-33)45-63-65-47(68-45)54-19-29-10-8-26(18-38(29)51)36-12-14-53-44-40(36)60-42(62-44)32-23-58-67(24-32)34-6-2-4-28(16-34)46-64-66-48(69-46)55-20-30-9-7-25(17-37(30)50)35-11-13-52-43-39(35)59-41(61-43)31-21-56-57-22-31/h1-18,21-24H,19-20H2,(H,54,65)(H,55,66)(H,56,57)(H,52,59,61)(H,53,60,62).

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

5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 937.33 g/mol, XLogP of 10.06, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[7-[4-[[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]phenyl]-N-[[2-fluoro-4-[2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 171803496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).