4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide

C48H44Cl2N8O7S2 — CID 126760868

IUPAC4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)cnc1C(=O)c1ccc2ncc(CC(C)(C)c3ccc(S(=O)(=O)Nc4cc(Cl)cnc4C(=O)c4ccc5nccn5c4)cc3)n2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C48H44Cl2N8O7S2/c1-47(2,3)32-9-15-38(16-10-32)67(63,64)58(29-65-6)40-22-35(50)25-54-44(40)46(60)31-8-18-42-52-26-36(57(42)28-31)23-48(4,5)33-11-13-37(14-12-33)66(61,62)55-39-21-34(49)24-53-43(39)45(59)30-7-17-41-51-19-20-56(41)27-30/h7-22,24-28,55H,23,29H2,1-6H3
InChIKeyCYZLHRAEGTYMBJ-UHFFFAOYSA-N
MW979.97 g/mol
LogP8.96
Rot. Bonds15

About 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide

4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide (PubChem CID 126760868) has the molecular formula C48H44Cl2N8O7S2 and a molecular weight of 979.97 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide
PubChem CID126760868
Molecular FormulaC48H44Cl2N8O7S2
Molecular Weight979.97 g/mol
Exact Mass978.22
IUPAC Name4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)cnc1C(=O)c1ccc2ncc(CC(C)(C)c3ccc(S(=O)(=O)Nc4cc(Cl)cnc4C(=O)c4ccc5nccn5c4)cc3)n2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C48H44Cl2N8O7S2/c1-47(2,3)32-9-15-38(16-10-32)67(63,64)58(29-65-6)40-22-35(50)25-54-44(40)46(60)31-8-18-42-52-26-36(57(42)28-31)23-48(4,5)33-11-13-37(14-12-33)66(61,62)55-39-21-34(49)24-53-43(39)45(59)30-7-17-41-51-19-20-56(41)27-30/h7-22,24-28,55H,23,29H2,1-6H3
InChIKeyCYZLHRAEGTYMBJ-UHFFFAOYSA-N
XLogP8.96
TPSA187.30 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.97
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide (CID 126760868) is 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide is COCN(c1cc(Cl)cnc1C(=O)c1ccc2ncc(CC(C)(C)c3ccc(S(=O)(=O)Nc4cc(Cl)cnc4C(=O)c4ccc5nccn5c4)cc3)n2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is CYZLHRAEGTYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44Cl2N8O7S2/c1-47(2,3)32-9-15-38(16-10-32)67(63,64)58(29-65-6)40-22-35(50)25-54-44(40)46(60)31-8-18-42-52-26-36(57(42)28-31)23-48(4,5)33-11-13-37(14-12-33)66(61,62)55-39-21-34(49)24-53-43(39)45(59)30-7-17-41-51-19-20-56(41)27-30/h7-22,24-28,55H,23,29H2,1-6H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 979.97 g/mol, XLogP of 8.96, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-[3-[2-[4-[[5-chloro-2-(imidazo[1,2-a]pyridine-6-carbonyl)-3-pyridinyl]sulfamoyl]phenyl]-2-methylpropyl]imidazo[1,2-a]pyridine-6-carbonyl]-3-pyridinyl]-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 126760868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).