6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C23H24F3N5O3S — CID 66737021

About 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66737021) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 66737021
• Molecular Formula: C23H24F3N5O3S
• Molecular Weight: 507.54 g/mol
• Exact Mass: 507.16
• IUPAC Name: 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CCc1nc2c(cc1OC)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1
• InChI: InChI=1S/C23H24F3N5O3S/c1-4-18-20(34-3)10-16-17(11-27)21(31(22(16)29-18)14-6-5-7-14)19-9-8-15(12-28-19)35(32,33)30-13(2)23(24,25)26/h8-10,12-14,30H,4-7H2,1-3H3/t13-/m1/s1
• InChIKey: PHANASDRKDCHTG-CYBMUJFWSA-N
• XLogP: 4.50
• TPSA: 109.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.54
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66737021) is 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1nc2c(cc1OC)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1.

What is the InChIKey of 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is PHANASDRKDCHTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24F3N5O3S/c1-4-18-20(34-3)10-16-17(11-27)21(31(22(16)29-18)14-6-5-7-14)19-9-8-15(12-28-19)35(32,33)30-13(2)23(24,25)26/h8-10,12-14,30H,4-7H2,1-3H3/t13-/m1/s1.

What are the key properties of 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 507.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-1-cyclobutyl-6-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66737021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).