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

C25H19F2N9O2S — CID 136947659

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

N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (PubChem CID 136947659) has the molecular formula C25H19F2N9O2S and a molecular weight of 547.55 g/mol. Its IUPAC name is N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• PubChem CID: 136947659
• Molecular Formula: C25H19F2N9O2S
• Molecular Weight: 547.55 g/mol
• Exact Mass: 547.14
• IUPAC Name: N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(N)c6)c(F)c45)nc23)c1
• InChI: InChI=1S/C25H19F2N9O2S/c1-39(37,38)32-6-12-2-13(4-15(26)3-12)17-9-30-10-19-23(17)34-25(33-19)24-20-18(35-36-24)11-31-22(21(20)27)14-5-16(28)8-29-7-14/h2-5,7-11,32H,6,28H2,1H3,(H,33,34)(H,35,36)
• InChIKey: KSYNNZFKWIWHBY-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 168.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.55
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide (CID 136947659) is N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide.

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

The canonical SMILES for N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(N)c6)c(F)c45)nc23)c1.

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

The InChIKey is KSYNNZFKWIWHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N9O2S/c1-39(37,38)32-6-12-2-13(4-15(26)3-12)17-9-30-10-19-23(17)34-25(33-19)24-20-18(35-36-24)11-31-22(21(20)27)14-5-16(28)8-29-7-14/h2-5,7-11,32H,6,28H2,1H3,(H,33,34)(H,35,36).

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

N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide has a molecular weight of 547.55 g/mol, XLogP of 3.53, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide is sourced from PubChem (CID 136947659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).