sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide

C55H45Cl4F2N8NaO5S — CID 158312989

About sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide

sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 158312989) has the molecular formula C55H45Cl4F2N8NaO5S and a molecular weight of 1132.88 g/mol. Its IUPAC name is sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

• Compound Name: sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
• PubChem CID: 158312989
• Molecular Formula: C55H45Cl4F2N8NaO5S
• Molecular Weight: 1132.88 g/mol
• Exact Mass: 1130.19
• IUPAC Name: sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
• SMILES: Cc1[nH]c2ncc(-c3cn(C)c(=O)c4[nH]ccc34)cc2c1C(C)c1c(Cl)ccc(F)c1Cl.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5[nH]c(C)c(C(C)c6c(Cl)ccc(F)c6Cl)c5c4)cn(C)c(=O)c32)cc1.[Na+].[OH-]
• InChI: InChI=1S/C31H25Cl2FN4O3S.C24H19Cl2FN4O.Na.H2O/c1-16-5-7-20(8-6-16)42(40,41)38-12-11-21-23(15-37(4)31(39)29(21)38)19-13-22-26(18(3)36-30(22)35-14-19)17(2)27-24(32)9-10-25(34)28(27)33;1-11(20-17(25)4-5-18(27)21(20)26)19-12(2)30-23-15(19)8-13(9-29-23)16-10-31(3)24(32)22-14(16)6-7-28-22;;/h5-15,17H,1-4H3,(H,35,36);4-11,28H,1-3H3,(H,29,30);;1H2/q;;+1;/p-1
• InChIKey: GNXCNRMRALSHNG-UHFFFAOYSA-M
• XLogP: 10.48
• TPSA: 186.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.88
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The IUPAC name of sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 158312989) is sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide.

What is the SMILES notation for sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The canonical SMILES for sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide is Cc1[nH]c2ncc(-c3cn(C)c(=O)c4[nH]ccc34)cc2c1C(C)c1c(Cl)ccc(F)c1Cl.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5[nH]c(C)c(C(C)c6c(Cl)ccc(F)c6Cl)c5c4)cn(C)c(=O)c32)cc1.[Na+].[OH-].

What is the InChIKey of sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The InChIKey is GNXCNRMRALSHNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H25Cl2FN4O3S.C24H19Cl2FN4O.Na.H2O/c1-16-5-7-20(8-6-16)42(40,41)38-12-11-21-23(15-37(4)31(39)29(21)38)19-13-22-26(18(3)36-30(22)35-14-19)17(2)27-24(32)9-10-25(34)28(27)33;1-11(20-17(25)4-5-18(27)21(20)26)19-12(2)30-23-15(19)8-13(9-29-23)16-10-31(3)24(32)22-14(16)6-7-28-22;;/h5-15,17H,1-4H3,(H,35,36);4-11,28H,1-3H3,(H,29,30);;1H2/q;;+1;/p-1.

What are the key properties of sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?

sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 1132.88 g/mol, XLogP of 10.48, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 158312989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).