N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide

C24H19F4N5O3S — CID 24959094

About N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide

N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide (PubChem CID 24959094) has the molecular formula C24H19F4N5O3S and a molecular weight of 533.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide
• PubChem CID: 24959094
• Molecular Formula: C24H19F4N5O3S
• Molecular Weight: 533.51 g/mol
• Exact Mass: 533.11
• IUPAC Name: N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide
• SMILES: CN(C)S(=O)(=O)n1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21
• InChI: InChI=1S/C24H19F4N5O3S/c1-31(2)37(35,36)32-14-20(19-4-3-11-29-22(19)32)23(34,24(26,27)28)16-5-10-21-15(12-16)13-30-33(21)18-8-6-17(25)7-9-18/h3-14,34H,1-2H3
• InChIKey: NMMMMSFSFQMJNA-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 93.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.51
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide?

The IUPAC name of N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide (CID 24959094) is N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide.

What is the SMILES notation for N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide?

The canonical SMILES for N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide is CN(C)S(=O)(=O)n1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21.

What is the InChIKey of N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide?

The InChIKey is NMMMMSFSFQMJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O3S/c1-31(2)37(35,36)32-14-20(19-4-3-11-29-22(19)32)23(34,24(26,27)28)16-5-10-21-15(12-16)13-30-33(21)18-8-6-17(25)7-9-18/h3-14,34H,1-2H3.

What are the key properties of N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide?

N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide has a molecular weight of 533.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide is sourced from PubChem (CID 24959094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).