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

C21H26F2N4OS — CID 69193299

IUPAC1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCCCSc1ccc(F)cc1F
InChIInChI=1S/C21H26F2N4OS/c1-14-13-25-21(24)19-20(14)27(18(26-19)8-10-28-2)9-4-3-5-11-29-17-7-6-15(22)12-16(17)23/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,24,25)
InChIKeyCBKLHZYAZCMEEZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.75
Rot. Bonds10

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

1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69193299) has the molecular formula C21H26F2N4OS and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID69193299
Molecular FormulaC21H26F2N4OS
Molecular Weight420.53 g/mol
Exact Mass420.18
IUPAC Name1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCCCSc1ccc(F)cc1F
InChIInChI=1S/C21H26F2N4OS/c1-14-13-25-21(24)19-20(14)27(18(26-19)8-10-28-2)9-4-3-5-11-29-17-7-6-15(22)12-16(17)23/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,24,25)
InChIKeyCBKLHZYAZCMEEZ-UHFFFAOYSA-N
XLogP4.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.75
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)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69411241
1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 22666210
1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine
CID 150530415
1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193937
2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 69410770
1-[4-[(2-chloro-4-fluorophenyl)sulfanylamino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142033110
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
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-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255
3-[3-(2,4-difluorophenyl)sulfanylpropoxy]aniline
CID 43366429
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)-7-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine (CID 69193299) is 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine is COCCc1nc2c(N)ncc(C)c2n1CCCCCSc1ccc(F)cc1F.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is CBKLHZYAZCMEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4OS/c1-14-13-25-21(24)19-20(14)27(18(26-19)8-10-28-2)9-4-3-5-11-29-17-7-6-15(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-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 420.53 g/mol, XLogP of 4.75, 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)-7-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69193299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).