3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide

C23H30ClN5O4S — CID 22485077

IUPAC3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCCCOc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)NCCC)nc32)c(Cl)c1
InChIInChI=1S/C23H30ClN5O4S/c1-4-6-7-13-33-18-9-8-17(19(24)14-18)15-29-16(3)26-20-10-11-21(27-22(20)29)23(30)28-34(31,32)25-12-5-2/h8-11,14,25H,4-7,12-13,15H2,1-3H3,(H,28,30)
InChIKeyYEGLOTOVZJNPAS-UHFFFAOYSA-N
MW508.04 g/mol
LogP3.98
Rot. Bonds12

About 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide

3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22485077) has the molecular formula C23H30ClN5O4S and a molecular weight of 508.04 g/mol. Its IUPAC name is 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID22485077
Molecular FormulaC23H30ClN5O4S
Molecular Weight508.04 g/mol
Exact Mass507.17
IUPAC Name3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCCCOc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)NCCC)nc32)c(Cl)c1
InChIInChI=1S/C23H30ClN5O4S/c1-4-6-7-13-33-18-9-8-17(19(24)14-18)15-29-16(3)26-20-10-11-21(27-22(20)29)23(30)28-34(31,32)25-12-5-2/h8-11,14,25H,4-7,12-13,15H2,1-3H3,(H,28,30)
InChIKeyYEGLOTOVZJNPAS-UHFFFAOYSA-N
XLogP3.98
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.04
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)benzimidazole-5-carboxamide
CID 22508677
3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388248
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
3-[[2-chloro-4-[formyl-[(2-methylpropan-2-yl)oxy]amino]phenyl]methyl]-2-methyl-N-pentylsulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 87999620
propan-2-yl N-[4-[[5-(butylsulfonylcarbamoyl)-2-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-chlorophenyl]carbamate
CID 22485231
tert-butyl N-[3-chloro-4-[[2-methyl-5-(pentylsulfonylcarbamoyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-N-methylcarbamate
CID 22484977
3-[(2,3-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388564
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
3-[[4-(butylsulfonylamino)-2-chlorophenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485051
N-(butylsulfamoyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18467562
3-[[4-(butylamino)-2-chlorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388233
3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388026

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 22485077) is 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide is CCCCCOc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)NCCC)nc32)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is YEGLOTOVZJNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O4S/c1-4-6-7-13-33-18-9-8-17(19(24)14-18)15-29-16(3)26-20-10-11-21(27-22(20)29)23(30)28-34(31,32)25-12-5-2/h8-11,14,25H,4-7,12-13,15H2,1-3H3,(H,28,30).
What are the key properties of 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide?
3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 508.04 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(propylsulfamoyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22485077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).