2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine

C36H32FN7O2 — CID 145034869

About 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine

2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 145034869) has the molecular formula C36H32FN7O2 and a molecular weight of 613.70 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
• PubChem CID: 145034869
• Molecular Formula: C36H32FN7O2
• Molecular Weight: 613.70 g/mol
• Exact Mass: 613.26
• IUPAC Name: 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
• SMILES: Cc1cc2[nH]nc(-c3nc4nccc(-c5cc(F)cc(OCCN(C)C)c5)c4[nH]3)c2cc1-c1cncc(OCc2ccccc2)c1
• InChI: InChI=1S/C36H32FN7O2/c1-22-13-32-31(18-30(22)25-16-28(20-38-19-25)46-21-23-7-5-4-6-8-23)34(43-42-32)36-40-33-29(9-10-39-35(33)41-36)24-14-26(37)17-27(15-24)45-12-11-44(2)3/h4-10,13-20H,11-12,21H2,1-3H3,(H,42,43)(H,39,40,41)
• InChIKey: TWEMPBVTJPDDQB-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 104.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.70
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

The IUPAC name of 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine (CID 145034869) is 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

The canonical SMILES for 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine is Cc1cc2[nH]nc(-c3nc4nccc(-c5cc(F)cc(OCCN(C)C)c5)c4[nH]3)c2cc1-c1cncc(OCc2ccccc2)c1.

What is the InChIKey of 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

The InChIKey is TWEMPBVTJPDDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32FN7O2/c1-22-13-32-31(18-30(22)25-16-28(20-38-19-25)46-21-23-7-5-4-6-8-23)34(43-42-32)36-40-33-29(9-10-39-35(33)41-36)24-14-26(37)17-27(15-24)45-12-11-44(2)3/h4-10,13-20H,11-12,21H2,1-3H3,(H,42,43)(H,39,40,41).

What are the key properties of 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 613.70 g/mol, XLogP of 7.20, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 145034869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).