N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

C24H18FN9O2S — CID 136937325

About N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (PubChem CID 136937325) has the molecular formula C24H18FN9O2S and a molecular weight of 515.53 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
• PubChem CID: 136937325
• Molecular Formula: C24H18FN9O2S
• Molecular Weight: 515.53 g/mol
• Exact Mass: 515.13
• IUPAC Name: N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cnccn6)cc45)[nH]c23)c1
• InChI: InChI=1S/C24H18FN9O2S/c1-37(35,36)30-10-13-6-14(8-16(25)7-13)17-2-3-28-23-20(17)31-24(32-23)21-18-9-15(11-29-22(18)34-33-21)19-12-26-4-5-27-19/h2-9,11-12,30H,10H2,1H3,(H,28,31,32)(H,29,33,34)
• InChIKey: UAUJGTLMUKLBAR-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 155.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.53
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (CID 136937325) is N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

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

The canonical SMILES for N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cnccn6)cc45)[nH]c23)c1.

What is the InChIKey of N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?

The InChIKey is UAUJGTLMUKLBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN9O2S/c1-37(35,36)30-10-13-6-14(8-16(25)7-13)17-2-3-28-23-20(17)31-24(32-23)21-18-9-15(11-29-22(18)34-33-21)19-12-26-4-5-27-19/h2-9,11-12,30H,10H2,1H3,(H,28,31,32)(H,29,33,34).

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

N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 515.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 136937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).