N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide

C34H28F2N8O2S — CID 137135764

About N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide

N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (PubChem CID 137135764) has the molecular formula C34H28F2N8O2S and a molecular weight of 650.72 g/mol. Its IUPAC name is N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• PubChem CID: 137135764
• Molecular Formula: C34H28F2N8O2S
• Molecular Weight: 650.72 g/mol
• Exact Mass: 650.20
• IUPAC Name: N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cc(F)c(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C34H28F2N8O2S/c1-47(45,46)40-18-21-9-23(12-25(35)11-21)26-7-8-39-33-31(26)41-34(42-33)32-28-13-27(29(36)14-30(28)43-44-32)24-10-22(17-38-19-24)16-37-15-20-5-3-2-4-6-20/h2-14,17,19,37,40H,15-16,18H2,1H3,(H,43,44)(H,39,41,42)
• InChIKey: ICEKVXFJMUOKCH-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 141.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.72
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (CID 137135764) is N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

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

The canonical SMILES for N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cc(F)c(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)c1.

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

The InChIKey is ICEKVXFJMUOKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F2N8O2S/c1-47(45,46)40-18-21-9-23(12-25(35)11-21)26-7-8-39-33-31(26)41-34(42-33)32-28-13-27(29(36)14-30(28)43-44-32)24-10-22(17-38-19-24)16-37-15-20-5-3-2-4-6-20/h2-14,17,19,37,40H,15-16,18H2,1H3,(H,43,44)(H,39,41,42).

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

N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide has a molecular weight of 650.72 g/mol, XLogP of 5.85, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137135764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).