1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine

C21H26Cl2N4O3S — CID 69193937

IUPAC1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCCCS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H26Cl2N4O3S/c1-14-13-25-21(24)19-20(14)27(18(26-19)8-10-30-2)9-4-3-5-11-31(28,29)17-7-6-15(22)12-16(17)23/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,24,25)
InChIKeyDLSFQRUSZKKCEL-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.46
Rot. Bonds10

About 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine

1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69193937) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID69193937
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC Name1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCCCS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H26Cl2N4O3S/c1-14-13-25-21(24)19-20(14)27(18(26-19)8-10-30-2)9-4-3-5-11-31(28,29)17-7-6-15(22)12-16(17)23/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,24,25)
InChIKeyDLSFQRUSZKKCEL-UHFFFAOYSA-N
XLogP4.46
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193206
2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 69410770
5-chloro-2-(3-methoxypropylsulfonyl)aniline
CID 81174746
1-(5-bromopentylsulfonyl)-2,4-dichlorobenzene
CID 10689844
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-chlorobenzenesulfinamide
CID 142033161
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69411241
1-[4-[(2,6-dichlorophenyl)sulfanylamino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142033055
1-[4-[(2-chloro-4-fluorophenyl)sulfanylamino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142033110
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-[2-(dimethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 67222529
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen
CID 159994347
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothiophen-3-yl)acetamide
CID 175017580

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine (CID 69193937) is 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine is COCCc1nc2c(N)ncc(C)c2n1CCCCCS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is DLSFQRUSZKKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-14-13-25-21(24)19-20(14)27(18(26-19)8-10-30-2)9-4-3-5-11-31(28,29)17-7-6-15(22)12-16(17)23/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,24,25).
What are the key properties of 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 485.44 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69193937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).