N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide

C24H19FN8O2S — CID 137257299

About N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide

N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 137257299) has the molecular formula C24H19FN8O2S and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide
• PubChem CID: 137257299
• Molecular Formula: C24H19FN8O2S
• Molecular Weight: 502.54 g/mol
• Exact Mass: 502.13
• IUPAC Name: N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c([nH]4)CNC=C5c4ccccc4F)c3c2)c1
• InChI: InChI=1S/C24H19FN8O2S/c1-36(34,35)33-15-6-13(8-26-10-15)14-7-17-22(31-32-23(17)28-9-14)24-29-20-12-27-11-18(21(20)30-24)16-4-2-3-5-19(16)25/h2-11,27,33H,12H2,1H3,(H,29,30)(H,28,31,32)
• InChIKey: BVCIWNQAYRZQNJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 141.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.54
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide (CID 137257299) is N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c([nH]4)CNC=C5c4ccccc4F)c3c2)c1.

What is the InChIKey of N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

The InChIKey is BVCIWNQAYRZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O2S/c1-36(34,35)33-15-6-13(8-26-10-15)14-7-17-22(31-32-23(17)28-9-14)24-29-20-12-27-11-18(21(20)30-24)16-4-2-3-5-19(16)25/h2-11,27,33H,12H2,1H3,(H,29,30)(H,28,31,32).

What are the key properties of N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 502.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(2-fluorophenyl)-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 137257299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).