N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

C26H24F2N4O3S — CID 164939038

About N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (PubChem CID 164939038) has the molecular formula C26H24F2N4O3S and a molecular weight of 510.57 g/mol. Its IUPAC name is N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
• PubChem CID: 164939038
• Molecular Formula: C26H24F2N4O3S
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.15
• IUPAC Name: N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)cc4C)cc23)c1F
• InChI: InChI=1S/C26H24F2N4O3S/c1-3-8-36(34,35)32-24-21(27)7-6-17(23(24)28)25(33)20-13-31-26-18(20)10-16(11-30-26)19-12-29-22(9-14(19)2)15-4-5-15/h6-7,9-13,15,32H,3-5,8H2,1-2H3,(H,30,31)
• InChIKey: WDQKLBKWNNKNJE-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (CID 164939038) is N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C5CC5)cc4C)cc23)c1F.

What is the InChIKey of N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

The InChIKey is WDQKLBKWNNKNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3S/c1-3-8-36(34,35)32-24-21(27)7-6-17(23(24)28)25(33)20-13-31-26-18(20)10-16(11-30-26)19-12-29-22(9-14(19)2)15-4-5-15/h6-7,9-13,15,32H,3-5,8H2,1-2H3,(H,30,31).

What are the key properties of N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?

N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide has a molecular weight of 510.57 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 164939038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).