sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride

C23H21BrClN4NaO3S — CID 173206807

IUPACsodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(C)c3nc(C)n(Cc4ccc(Br)cc4Cl)c3n2)cc1.[H-].[Na+]
InChIInChI=1S/C23H20BrClN4O3S.Na.H/c1-13-4-8-18(9-5-13)33(31,32)28-23(30)20-10-14(2)21-22(27-20)29(15(3)26-21)12-16-6-7-17(24)11-19(16)25;;/h4-11H,12H2,1-3H3,(H,28,30);;/q;+1;-1
InChIKeyMSQLLUHHGGQJFX-UHFFFAOYSA-N
MW571.86 g/mol
LogP2.06
Rot. Bonds5

About sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride

sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride (PubChem CID 173206807) has the molecular formula C23H21BrClN4NaO3S and a molecular weight of 571.86 g/mol. Its IUPAC name is sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride.

Molecular Properties

Compound Namesodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride
PubChem CID173206807
Molecular FormulaC23H21BrClN4NaO3S
Molecular Weight571.86 g/mol
Exact Mass570.01
IUPAC Namesodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(C)c3nc(C)n(Cc4ccc(Br)cc4Cl)c3n2)cc1.[H-].[Na+]
InChIInChI=1S/C23H20BrClN4O3S.Na.H/c1-13-4-8-18(9-5-13)33(31,32)28-23(30)20-10-14(2)21-22(27-20)29(15(3)26-21)12-16-6-7-17(24)11-19(16)25;;/h4-11H,12H2,1-3H3,(H,28,30);;/q;+1;-1
InChIKeyMSQLLUHHGGQJFX-UHFFFAOYSA-N
XLogP2.06
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.86
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride?
The IUPAC name of sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride (CID 173206807) is sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride.
What is the SMILES notation for sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride?
The canonical SMILES for sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride is Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)c3nc(C)n(Cc4ccc(Br)cc4Cl)c3n2)cc1.[H-].[Na+].
What is the InChIKey of sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride?
The InChIKey is MSQLLUHHGGQJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrClN4O3S.Na.H/c1-13-4-8-18(9-5-13)33(31,32)28-23(30)20-10-14(2)21-22(27-20)29(15(3)26-21)12-16-6-7-17(24)11-19(16)25;;/h4-11H,12H2,1-3H3,(H,28,30);;/q;+1;-1.
What are the key properties of sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride?
sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride has a molecular weight of 571.86 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride is sourced from PubChem (CID 173206807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).