N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

C24H20F2N6O3S — CID 58368829

About N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 58368829) has the molecular formula C24H20F2N6O3S and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
• PubChem CID: 58368829
• Molecular Formula: C24H20F2N6O3S
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.13
• IUPAC Name: N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C)nc5n4)cc23)c1F
• InChI: InChI=1S/C24H20F2N6O3S/c1-3-8-36(34,35)31-18-5-4-17(25)20(21(18)26)22(33)16-11-28-23-15(16)9-14(10-27-23)19-12-32-7-6-13(2)29-24(32)30-19/h4-7,9-12,31H,3,8H2,1-2H3,(H,27,28)
• InChIKey: CSVZTIPQPIEKGN-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (CID 58368829) is N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cn5ccc(C)nc5n4)cc23)c1F.

What is the InChIKey of N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

The InChIKey is CSVZTIPQPIEKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O3S/c1-3-8-36(34,35)31-18-5-4-17(25)20(21(18)26)22(33)16-11-28-23-15(16)9-14(10-27-23)19-12-32-7-6-13(2)29-24(32)30-19/h4-7,9-12,31H,3,8H2,1-2H3,(H,27,28).

What are the key properties of N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?

N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 510.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[5-(7-methylimidazo[1,2-a]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58368829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).