N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C32H34N8O3S — CID 172600371

About N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 172600371) has the molecular formula C32H34N8O3S and a molecular weight of 610.74 g/mol. Its IUPAC name is N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
• PubChem CID: 172600371
• Molecular Formula: C32H34N8O3S
• Molecular Weight: 610.74 g/mol
• Exact Mass: 610.25
• IUPAC Name: N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
• SMILES: Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Nc2cc3c(-c4ccc5c(cnn5CC(C)(C)O)c4C)nccc3cn2)cc1
• InChI: InChI=1S/C32H34N8O3S/c1-19-25(11-12-28-27(19)17-35-40(28)18-32(4,5)41)30-26-15-29(34-16-22(26)13-14-33-30)36-23-7-9-24(10-8-23)38-44(42,43)31-20(2)37-39(6)21(31)3/h7-17,38,41H,18H2,1-6H3,(H,34,36)
• InChIKey: BBKBLCUAVTYZMR-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 139.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.74
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?

The IUPAC name of N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 172600371) is N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

What is the SMILES notation for N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?

The canonical SMILES for N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Nc2cc3c(-c4ccc5c(cnn5CC(C)(C)O)c4C)nccc3cn2)cc1.

What is the InChIKey of N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?

The InChIKey is BBKBLCUAVTYZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O3S/c1-19-25(11-12-28-27(19)17-35-40(28)18-32(4,5)41)30-26-15-29(34-16-22(26)13-14-33-30)36-23-7-9-24(10-8-23)38-44(42,43)31-20(2)37-39(6)21(31)3/h7-17,38,41H,18H2,1-6H3,(H,34,36).

What are the key properties of N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?

N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 610.74 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 172600371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).