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

C26H20F2N8O2S — CID 137174552

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

N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137174552) has the molecular formula C26H20F2N8O2S and a molecular weight of 546.56 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
• PubChem CID: 137174552
• Molecular Formula: C26H20F2N8O2S
• Molecular Weight: 546.56 g/mol
• Exact Mass: 546.14
• IUPAC Name: N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
• SMILES: Cc1ccncc1-c1ncc2[nH]nc(-c3nc4nccc(-c5cc(F)cc(CNS(C)(=O)=O)c5)c4[nH]3)c2c1F
• InChI: InChI=1S/C26H20F2N8O2S/c1-13-3-5-29-11-18(13)22-21(28)20-19(12-31-22)35-36-24(20)26-33-23-17(4-6-30-25(23)34-26)15-7-14(8-16(27)9-15)10-32-39(2,37)38/h3-9,11-12,32H,10H2,1-2H3,(H,35,36)(H,30,33,34)
• InChIKey: KWXWMGXUDLVQBL-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.56
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (CID 137174552) is N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]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-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?

The canonical SMILES for N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is Cc1ccncc1-c1ncc2[nH]nc(-c3nc4nccc(-c5cc(F)cc(CNS(C)(=O)=O)c5)c4[nH]3)c2c1F.

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

The InChIKey is KWXWMGXUDLVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8O2S/c1-13-3-5-29-11-18(13)22-21(28)20-19(12-31-22)35-36-24(20)26-33-23-17(4-6-30-25(23)34-26)15-7-14(8-16(27)9-15)10-32-39(2,37)38/h3-9,11-12,32H,10H2,1-2H3,(H,35,36)(H,30,33,34).

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

N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 546.56 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-5-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137174552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).