1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine

C19H22F2N4OS — CID 150530415

IUPAC1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCC(CCCSc1ccc(F)cc1F)n1cnc2c(N)ncc(C)c21
InChIInChI=1S/C19H22F2N4OS/c1-12-9-23-19(22)17-18(12)25(11-24-17)14(10-26-2)4-3-7-27-16-6-5-13(20)8-15(16)21/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H2,22,23)
InChIKeyIDSHMJBLRIWCBC-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.36
Rot. Bonds8

About 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine

1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 150530415) has the molecular formula C19H22F2N4OS and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID150530415
Molecular FormulaC19H22F2N4OS
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCC(CCCSc1ccc(F)cc1F)n1cnc2c(N)ncc(C)c21
InChIInChI=1S/C19H22F2N4OS/c1-12-9-23-19(22)17-18(12)25(11-24-17)14(10-26-2)4-3-7-27-16-6-5-13(20)8-15(16)21/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H2,22,23)
InChIKeyIDSHMJBLRIWCBC-UHFFFAOYSA-N
XLogP4.36
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-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-[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
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
7-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-4-amine
CID 126489243
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69411241
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
3-[3-(2,4-difluorophenyl)sulfanylpropoxy]aniline
CID 43366429
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
1-[7-(2,4-dichlorophenyl)sulfinyl-1-methoxyheptan-2-yl]-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 151124391
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 107511222

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine (CID 150530415) is 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine is COCC(CCCSc1ccc(F)cc1F)n1cnc2c(N)ncc(C)c21.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is IDSHMJBLRIWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4OS/c1-12-9-23-19(22)17-18(12)25(11-24-17)14(10-26-2)4-3-7-27-16-6-5-13(20)8-15(16)21/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H2,22,23).
What are the key properties of 1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine?
1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 392.48 g/mol, XLogP of 4.36, 8 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)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 150530415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).