1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C25H20FN7S — CID 136937931

About 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 136937931) has the molecular formula C25H20FN7S and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 136937931
• Molecular Formula: C25H20FN7S
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.15
• IUPAC Name: 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• SMILES: CN(C)Cc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C25H20FN7S/c1-33(2)12-14-7-16(11-27-10-14)18-8-19-21(9-20(18)26)31-32-23(19)25-29-22-17(15-4-6-34-13-15)3-5-28-24(22)30-25/h3-11,13H,12H2,1-2H3,(H,31,32)(H,28,29,30)
• InChIKey: GSDFEBIUWXNBOO-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 136937931) is 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

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

The canonical SMILES for 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cc2F)c1.

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

The InChIKey is GSDFEBIUWXNBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7S/c1-33(2)12-14-7-16(11-27-10-14)18-8-19-21(9-20(18)26)31-32-23(19)25-29-22-17(15-4-6-34-13-15)3-5-28-24(22)30-25/h3-11,13H,12H2,1-2H3,(H,31,32)(H,28,29,30).

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

1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 469.55 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[6-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 136937931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).