N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine

C32H27FN8 — CID 145034375

About N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine

N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine (PubChem CID 145034375) has the molecular formula C32H27FN8 and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine
• PubChem CID: 145034375
• Molecular Formula: C32H27FN8
• Molecular Weight: 542.62 g/mol
• Exact Mass: 542.23
• IUPAC Name: N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine
• SMILES: Cc1cc(CNCc2ccccc2)cc(-c2cc3c(-c4nc5c(-n6cnc(C)c6)nccc5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C32H27FN8/c1-19-10-22(16-34-15-21-6-4-3-5-7-21)12-23(11-19)24-13-25-28(14-26(24)33)39-40-29(25)31-37-27-8-9-35-32(30(27)38-31)41-17-20(2)36-18-41/h3-14,17-18,34H,15-16H2,1-2H3,(H,37,38)(H,39,40)
• InChIKey: TUCRYYKYZQOXDH-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 100.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.62
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine (CID 145034375) is N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine.

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

The canonical SMILES for N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine is Cc1cc(CNCc2ccccc2)cc(-c2cc3c(-c4nc5c(-n6cnc(C)c6)nccc5[nH]4)n[nH]c3cc2F)c1.

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

The InChIKey is TUCRYYKYZQOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN8/c1-19-10-22(16-34-15-21-6-4-3-5-7-21)12-23(11-19)24-13-25-28(14-26(24)33)39-40-29(25)31-37-27-8-9-35-32(30(27)38-31)41-17-20(2)36-18-41/h3-14,17-18,34H,15-16H2,1-2H3,(H,37,38)(H,39,40).

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

N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine has a molecular weight of 542.62 g/mol, XLogP of 6.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 145034375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).