6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C22H17F3N6O2S — CID 77182105

About 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77182105) has the molecular formula C22H17F3N6O2S and a molecular weight of 486.48 g/mol. Its IUPAC name is 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 77182105
• Molecular Formula: C22H17F3N6O2S
• Molecular Weight: 486.48 g/mol
• Exact Mass: 486.11
• IUPAC Name: 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)n(-c3cccnc3)c2c1
• InChI: InChI=1S/C22H17F3N6O2S/c1-13-8-19-20(29-10-13)17(9-26)21(31(19)15-4-3-7-27-11-15)18-6-5-16(12-28-18)34(32,33)30-14(2)22(23,24)25/h3-8,10-12,14,30H,1-2H3
• InChIKey: HNRDLEOHZPQCHK-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 113.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.48
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77182105) is 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)n(-c3cccnc3)c2c1.

What is the InChIKey of 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is HNRDLEOHZPQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O2S/c1-13-8-19-20(29-10-13)17(9-26)21(31(19)15-4-3-7-27-11-15)18-6-5-16(12-28-18)34(32,33)30-14(2)22(23,24)25/h3-8,10-12,14,30H,1-2H3.

What are the key properties of 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 486.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77182105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).