5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline

C19H22FN3OS — CID 170616490

IUPAC5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
SMILESCOc1cc2ncc(-c3cc(C)c(F)c(N)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C19H22FN3OS/c1-11-6-12(7-13(21)18(11)20)14-9-22-17-8-15(24-5)16(10-23(14)17)25-19(2,3)4/h6-10H,21H2,1-5H3
InChIKeyDJLNPTSQPUUIMK-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.93
Rot. Bonds3

About 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline

5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline (PubChem CID 170616490) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline.

Molecular Properties

Compound Name5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
PubChem CID170616490
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
SMILESCOc1cc2ncc(-c3cc(C)c(F)c(N)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C19H22FN3OS/c1-11-6-12(7-13(21)18(11)20)14-9-22-17-8-15(24-5)16(10-23(14)17)25-19(2,3)4/h6-10H,21H2,1-5H3
InChIKeyDJLNPTSQPUUIMK-UHFFFAOYSA-N
XLogP4.93
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 170616482
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
CID 170616408
[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
CID 172631516
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxy-N-(oxetan-3-ylsulfanyl)aniline
CID 178093970
7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 178094187
N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
CID 172631787
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(E)-cyclobutyl(ethylidene)-λ4-sulfanyl]-3-fluoro-2-methoxyaniline
CID 178093965
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine
CID 170616344
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 172631085
tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
CID 178094104

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline?
The IUPAC name of 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline (CID 170616490) is 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline.
What is the SMILES notation for 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline?
The canonical SMILES for 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline is COc1cc2ncc(-c3cc(C)c(F)c(N)c3)n2cc1SC(C)(C)C.
What is the InChIKey of 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline?
The InChIKey is DJLNPTSQPUUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-11-6-12(7-13(21)18(11)20)14-9-22-17-8-15(24-5)16(10-23(14)17)25-19(2,3)4/h6-10H,21H2,1-5H3.
What are the key properties of 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline?
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline has a molecular weight of 359.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline is sourced from PubChem (CID 170616490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).