1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

C22H28Cl2N4O2S — CID 151124391

IUPAC1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOCC(CCCCCS(=O)c1ccc(Cl)cc1Cl)n1cnc2c(N)nc(C)c(C)c21
InChIInChI=1S/C22H28Cl2N4O2S/c1-14-15(2)27-22(25)20-21(14)28(13-26-20)17(12-30-3)7-5-4-6-10-31(29)19-9-8-16(23)11-18(19)24/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H2,25,27)
InChIKeyMSWLAIYVJFIFNU-UHFFFAOYSA-N
MW483.47 g/mol
LogP5.49
Rot. Bonds10

About 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 151124391) has the molecular formula C22H28Cl2N4O2S and a molecular weight of 483.47 g/mol. Its IUPAC name is 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID151124391
Molecular FormulaC22H28Cl2N4O2S
Molecular Weight483.47 g/mol
Exact Mass482.13
IUPAC Name1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOCC(CCCCCS(=O)c1ccc(Cl)cc1Cl)n1cnc2c(N)nc(C)c(C)c21
InChIInChI=1S/C22H28Cl2N4O2S/c1-14-15(2)27-22(25)20-21(14)28(13-26-20)17(12-30-3)7-5-4-6-10-31(29)19-9-8-16(23)11-18(19)24/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H2,25,27)
InChIKeyMSWLAIYVJFIFNU-UHFFFAOYSA-N
XLogP5.49
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 151124391) is 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is COCC(CCCCCS(=O)c1ccc(Cl)cc1Cl)n1cnc2c(N)nc(C)c(C)c21.
What is the InChIKey of 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is MSWLAIYVJFIFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O2S/c1-14-15(2)27-22(25)20-21(14)28(13-26-20)17(12-30-3)7-5-4-6-10-31(29)19-9-8-16(23)11-18(19)24/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H2,25,27).
What are the key properties of 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 483.47 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 151124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).