N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide

C26H25FN8O2S — CID 145036070

About N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide

N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (PubChem CID 145036070) has the molecular formula C26H25FN8O2S and a molecular weight of 532.61 g/mol. Its IUPAC name is N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• PubChem CID: 145036070
• Molecular Formula: C26H25FN8O2S
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.18
• IUPAC Name: N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• SMILES: CC1=NCC(c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)c3c2)N1C
• InChI: InChI=1S/C26H25FN8O2S/c1-14-29-13-22(35(14)2)16-4-5-21-20(11-16)24(34-33-21)26-31-23-19(6-7-28-25(23)32-26)17-8-15(9-18(27)10-17)12-30-38(3,36)37/h4-11,22,30H,12-13H2,1-3H3,(H,33,34)(H,28,31,32)
• InChIKey: DCCKTOBVBJCALQ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 132.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (CID 145036070) is N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-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-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide?

The canonical SMILES for N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is CC1=NCC(c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)c3c2)N1C.

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

The InChIKey is DCCKTOBVBJCALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O2S/c1-14-29-13-22(35(14)2)16-4-5-21-20(11-16)24(34-33-21)26-31-23-19(6-7-28-25(23)32-26)17-8-15(9-18(27)10-17)12-30-38(3,36)37/h4-11,22,30H,12-13H2,1-3H3,(H,33,34)(H,28,31,32).

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

N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide has a molecular weight of 532.61 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-[5-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is sourced from PubChem (CID 145036070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).