5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

C31H21FN8 — CID 145034577

About 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (PubChem CID 145034577) has the molecular formula C31H21FN8 and a molecular weight of 524.56 g/mol. Its IUPAC name is 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• PubChem CID: 145034577
• Molecular Formula: C31H21FN8
• Molecular Weight: 524.56 g/mol
• Exact Mass: 524.19
• IUPAC Name: 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cc2F)c1)c1ccccc1
• InChI: InChI=1S/C31H21FN8/c1-18(19-7-3-2-4-8-19)36-21-13-20(16-33-17-21)22-14-23-27(15-24(22)32)39-40-28(23)31-37-26-10-12-35-29(30(26)38-31)25-9-5-6-11-34-25/h2-17,36H,1H2,(H,37,38)(H,39,40)
• InChIKey: BFLXLDDLFXHNLV-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.56
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The IUPAC name of 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (CID 145034577) is 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

What is the SMILES notation for 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The canonical SMILES for 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is C=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cc2F)c1)c1ccccc1.

What is the InChIKey of 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The InChIKey is BFLXLDDLFXHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN8/c1-18(19-7-3-2-4-8-19)36-21-13-20(16-33-17-21)22-14-23-27(15-24(22)32)39-40-28(23)31-37-26-10-12-35-29(30(26)38-31)25-9-5-6-11-34-25/h2-17,36H,1H2,(H,37,38)(H,39,40).

What are the key properties of 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine has a molecular weight of 524.56 g/mol, XLogP of 6.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 145034577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).