N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide

C30H24FN7O2 — CID 58344985

About N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide

N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide (PubChem CID 58344985) has the molecular formula C30H24FN7O2 and a molecular weight of 533.57 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
• PubChem CID: 58344985
• Molecular Formula: C30H24FN7O2
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.20
• IUPAC Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
• SMILES: Cc1noc(C)c1-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
• InChI: InChI=1S/C30H24FN7O2/c1-17-26(18(2)40-37-17)24-12-13-25-29(35-24)38(28(36-25)23-7-4-14-33-27(23)32)22-10-8-19(9-11-22)16-34-30(39)20-5-3-6-21(31)15-20/h3-15H,16H2,1-2H3,(H2,32,33)(H,34,39)
• InChIKey: FNPJPPIEKUWBMS-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?

The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide (CID 58344985) is N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide.

What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?

The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide is Cc1noc(C)c1-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1.

What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?

The InChIKey is FNPJPPIEKUWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O2/c1-17-26(18(2)40-37-17)24-12-13-25-29(35-24)38(28(36-25)23-7-4-14-33-27(23)32)22-10-8-19(9-11-22)16-34-30(39)20-5-3-6-21(31)15-20/h3-15H,16H2,1-2H3,(H2,32,33)(H,34,39).

What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?

N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide has a molecular weight of 533.57 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 58344985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).