1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

C22H28F2N4OS — CID 69411241

IUPAC1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)nc(C)c(C)c2n1CCCCCSc1ccc(F)cc1F
InChIInChI=1S/C22H28F2N4OS/c1-14-15(2)26-22(25)20-21(14)28(19(27-20)9-11-29-3)10-5-4-6-12-30-18-8-7-16(23)13-17(18)24/h7-8,13H,4-6,9-12H2,1-3H3,(H2,25,26)
InChIKeyZUDFHLMNQIEEMK-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.06
Rot. Bonds10

About 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69411241) has the molecular formula C22H28F2N4OS and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID69411241
Molecular FormulaC22H28F2N4OS
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)nc(C)c(C)c2n1CCCCCSc1ccc(F)cc1F
InChIInChI=1S/C22H28F2N4OS/c1-14-15(2)26-22(25)20-21(14)28(19(27-20)9-11-29-3)10-5-4-6-12-30-18-8-7-16(23)13-17(18)24/h7-8,13H,4-6,9-12H2,1-3H3,(H2,25,26)
InChIKeyZUDFHLMNQIEEMK-UHFFFAOYSA-N
XLogP5.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.06
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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Related Compounds

1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193299
1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 22666210
1-[4-[(2-chloro-4-fluorophenyl)sulfanylamino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142033110
1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine
CID 150530415
1-[2-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propoxy]ethyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69192376
5-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)pentan-2-one
CID 58837336
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
2-(2,4-difluorophenyl)sulfanyl-1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 60601831
1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193937
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 69411241) is 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is COCCc1nc2c(N)nc(C)c(C)c2n1CCCCCSc1ccc(F)cc1F.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is ZUDFHLMNQIEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4OS/c1-14-15(2)26-22(25)20-21(14)28(19(27-20)9-11-29-3)10-5-4-6-12-30-18-8-7-16(23)13-17(18)24/h7-8,13H,4-6,9-12H2,1-3H3,(H2,25,26).
What are the key properties of 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 434.56 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69411241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).