4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium

C64H49F4K2N9O14S — CID 158469215

About 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium

4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium (PubChem CID 158469215) has the molecular formula C64H49F4K2N9O14S and a molecular weight of 1354.40 g/mol. Its IUPAC name is 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium.

Molecular Properties

• Compound Name: 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium
• PubChem CID: 158469215
• Molecular Formula: C64H49F4K2N9O14S
• Molecular Weight: 1354.40 g/mol
• Exact Mass: 1353.23
• IUPAC Name: 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium
• SMILES: CC(=O)OOO.COC(=O)c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.O=C(O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.[K][K]
• InChI: InChI=1S/C34H25F2N5O6S.C28H20F2N4O4.C2H4O4.2K/c1-47-34(44)30-17-22(27-20-41(31-25(27)9-5-13-37-31)48(45,46)24-7-3-2-4-8-24)16-23(39-30)18-38-32(42)26-10-6-14-40(33(26)43)19-21-11-12-28(35)29(36)15-21;29-22-7-5-16(11-23(22)30)15-34-10-2-4-21(27(34)36)26(35)32-14-18-12-17(13-25(33-18)28(37)38)19-6-8-24-20(19)3-1-9-31-24;1-2(3)5-6-4;;/h2-17,20H,18-19H2,1H3,(H,38,42);1-7,9-13H,8,14-15H2,(H,32,35)(H,37,38);4H,1H3
• InChIKey: HGDIBJMJYAHYIN-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 312.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.40
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium?

The IUPAC name of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium (CID 158469215) is 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium.

What is the SMILES notation for 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium?

The canonical SMILES for 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium is CC(=O)OOO.COC(=O)c1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.O=C(O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.[K][K].

What is the InChIKey of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium?

The InChIKey is HGDIBJMJYAHYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N5O6S.C28H20F2N4O4.C2H4O4.2K/c1-47-34(44)30-17-22(27-20-41(31-25(27)9-5-13-37-31)48(45,46)24-7-3-2-4-8-24)16-23(39-30)18-38-32(42)26-10-6-14-40(33(26)43)19-21-11-12-28(35)29(36)15-21;29-22-7-5-16(11-23(22)30)15-34-10-2-4-21(27(34)36)26(35)32-14-18-12-17(13-25(33-18)28(37)38)19-6-8-24-20(19)3-1-9-31-24;1-2(3)5-6-4;;/h2-17,20H,18-19H2,1H3,(H,38,42);1-7,9-13H,8,14-15H2,(H,32,35)(H,37,38);4H,1H3;;.

What are the key properties of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium?

4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium has a molecular weight of 1354.40 g/mol, XLogP of 7.31, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;hydroxy ethaneperoxoate;methyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylate;potassiopotassium is sourced from PubChem (CID 158469215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).