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

C25H20FN7S — CID 137134536

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

N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137134536) has the molecular formula C25H20FN7S and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 137134536
• Molecular Formula: C25H20FN7S
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.15
• IUPAC Name: N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CCNCc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C25H20FN7S/c1-2-27-11-14-8-16(13-28-12-14)15-9-18-21(19(26)10-15)32-33-23(18)25-30-22-17(20-4-3-7-34-20)5-6-29-24(22)31-25/h3-10,12-13,27H,2,11H2,1H3,(H,32,33)(H,29,30,31)
• InChIKey: YVCUPJVZBAYLLF-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137134536) is N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

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

The canonical SMILES for N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2)c1.

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

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

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

N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 469.55 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137134536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).