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

C25H18ClFN8O — CID 171803826

About 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 171803826) has the molecular formula C25H18ClFN8O and a molecular weight of 500.93 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 171803826
• Molecular Formula: C25H18ClFN8O
• Molecular Weight: 500.93 g/mol
• Exact Mass: 500.13
• IUPAC Name: 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine
• SMILES: Cn1cc(-c2nc3nccc(-c4ccc(CNc5nnc(-c6cccc(Cl)c6)o5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C25H18ClFN8O/c1-35-13-17(12-30-35)22-31-21-19(7-8-28-23(21)32-22)14-5-6-16(20(27)10-14)11-29-25-34-33-24(36-25)15-3-2-4-18(26)9-15/h2-10,12-13H,11H2,1H3,(H,29,34)(H,28,31,32)
• InChIKey: GDWNZPPNSHHDLY-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 110.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.93
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 171803826) is 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine is Cn1cc(-c2nc3nccc(-c4ccc(CNc5nnc(-c6cccc(Cl)c6)o5)c(F)c4)c3[nH]2)cn1.

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

The InChIKey is GDWNZPPNSHHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN8O/c1-35-13-17(12-30-35)22-31-21-19(7-8-28-23(21)32-22)14-5-6-16(20(27)10-14)11-29-25-34-33-24(36-25)15-3-2-4-18(26)9-15/h2-10,12-13H,11H2,1H3,(H,29,34)(H,28,31,32).

What are the key properties of 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 500.93 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 171803826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).