5-(3-chlorophenyl)-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

C24H16ClFN8O — CID 174361967

About 5-(3-chlorophenyl)-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-chlorophenyl)-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 174361967) has the molecular formula C24H16ClFN8O and a molecular weight of 486.90 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-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-chlorophenyl)-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: 174361967
• Molecular Formula: C24H16ClFN8O
• Molecular Weight: 486.90 g/mol
• Exact Mass: 486.11
• IUPAC Name: 5-(3-chlorophenyl)-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(-c4cn[nH]c4)[nH]c23)ccc1CNc1nnc(-c2cccc(Cl)c2)o1
• InChI: InChI=1S/C24H16ClFN8O/c25-17-3-1-2-14(8-17)23-33-34-24(35-23)28-10-15-5-4-13(9-19(15)26)18-6-7-27-22-20(18)31-21(32-22)16-11-29-30-12-16/h1-9,11-12H,10H2,(H,28,34)(H,29,30)(H,27,31,32)
• InChIKey: KBCLTWJFIQBREM-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 121.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.90
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-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-chlorophenyl)-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 174361967) is 5-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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(-c4cn[nH]c4)[nH]c23)ccc1CNc1nnc(-c2cccc(Cl)c2)o1.

What is the InChIKey of 5-(3-chlorophenyl)-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 KBCLTWJFIQBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN8O/c25-17-3-1-2-14(8-17)23-33-34-24(35-23)28-10-15-5-4-13(9-19(15)26)18-6-7-27-22-20(18)31-21(32-22)16-11-29-30-12-16/h1-9,11-12H,10H2,(H,28,34)(H,29,30)(H,27,31,32).

What are the key properties of 5-(3-chlorophenyl)-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-chlorophenyl)-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 486.90 g/mol, XLogP of 5.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-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 174361967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).