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

C35H29F2N7O2S — CID 159246206

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

N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 159246206) has the molecular formula C35H29F2N7O2S and a molecular weight of 649.73 g/mol. Its IUPAC name is N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• PubChem CID: 159246206
• Molecular Formula: C35H29F2N7O2S
• Molecular Weight: 649.73 g/mol
• Exact Mass: 649.21
• IUPAC Name: N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• SMILES: CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)c(F)c45)[nH]c23)c1
• InChI: InChI=1S/C35H29F2N7O2S/c1-47(45,46)12-10-22-13-24(16-26(36)15-22)28-9-11-40-34-32(28)41-35(42-34)33-30-29(43-44-33)8-7-27(31(30)37)25-14-23(19-39-20-25)18-38-17-21-5-3-2-4-6-21/h2-9,11,13-16,19-20,38H,10,12,17-18H2,1H3,(H,43,44)(H,40,41,42)
• InChIKey: KUSFZRLBBQAUDY-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.73
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 159246206) is N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

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

The canonical SMILES for N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)c(F)c45)[nH]c23)c1.

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

The InChIKey is KUSFZRLBBQAUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F2N7O2S/c1-47(45,46)12-10-22-13-24(16-26(36)15-22)28-9-11-40-34-32(28)41-35(42-34)33-30-29(43-44-33)8-7-27(31(30)37)25-14-23(19-39-20-25)18-38-17-21-5-3-2-4-6-21/h2-9,11,13-16,19-20,38H,10,12,17-18H2,1H3,(H,43,44)(H,40,41,42).

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

N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 649.73 g/mol, XLogP of 6.39, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 159246206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).