N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide

C32H26F6N8O3S — CID 172600464

About N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide

N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide (PubChem CID 172600464) has the molecular formula C32H26F6N8O3S and a molecular weight of 716.67 g/mol. Its IUPAC name is N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
• PubChem CID: 172600464
• Molecular Formula: C32H26F6N8O3S
• Molecular Weight: 716.67 g/mol
• Exact Mass: 716.18
• IUPAC Name: N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide
• SMILES: Cc1c(-c2nccc3cnc(Nc4ccc(S(=O)(=O)Nc5nc(C(F)(F)F)cc(C(F)(F)F)n5)cc4)cc23)ccc2c1cnn2CC(C)(C)O
• InChI: InChI=1S/C32H26F6N8O3S/c1-17-21(8-9-24-23(17)15-41-46(24)16-30(2,3)47)28-22-12-27(40-14-18(22)10-11-39-28)42-19-4-6-20(7-5-19)50(48,49)45-29-43-25(31(33,34)35)13-26(44-29)32(36,37)38/h4-15,47H,16H2,1-3H3,(H,40,42)(H,43,44,45)
• InChIKey: OBEXRVMXRNOLDV-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 147.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.67
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?

The IUPAC name of N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide (CID 172600464) is N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide.

What is the SMILES notation for N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?

The canonical SMILES for N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide is Cc1c(-c2nccc3cnc(Nc4ccc(S(=O)(=O)Nc5nc(C(F)(F)F)cc(C(F)(F)F)n5)cc4)cc23)ccc2c1cnn2CC(C)(C)O.

What is the InChIKey of N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?

The InChIKey is OBEXRVMXRNOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F6N8O3S/c1-17-21(8-9-24-23(17)15-41-46(24)16-30(2,3)47)28-22-12-27(40-14-18(22)10-11-39-28)42-19-4-6-20(7-5-19)50(48,49)45-29-43-25(31(33,34)35)13-26(44-29)32(36,37)38/h4-15,47H,16H2,1-3H3,(H,40,42)(H,43,44,45).

What are the key properties of N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide?

N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide has a molecular weight of 716.67 g/mol, XLogP of 7.10, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-4-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 172600464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).