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

C18H20FN3OS — CID 170616433

IUPAC3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
SMILESCOc1cc2ncc(-c3cc(N)cc(F)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C18H20FN3OS/c1-18(2,3)24-16-10-22-14(9-21-17(22)8-15(16)23-4)11-5-12(19)7-13(20)6-11/h5-10H,20H2,1-4H3
InChIKeyFIVGZPZKUAHANH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.62
Rot. Bonds3

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

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline (PubChem CID 170616433) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
PubChem CID170616433
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
SMILESCOc1cc2ncc(-c3cc(N)cc(F)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C18H20FN3OS/c1-18(2,3)24-16-10-22-14(9-21-17(22)8-15(16)23-4)11-5-12(19)7-13(20)6-11/h5-10H,20H2,1-4H3
InChIKeyFIVGZPZKUAHANH-UHFFFAOYSA-N
XLogP4.62
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.62
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

6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 170616482
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490
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
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(E)-cyclobutyl(ethylidene)-λ4-sulfanyl]-3-fluoro-2-methoxyaniline
CID 178093965
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
tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
CID 178094104
6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine
CID 170616344
[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol
CID 170616530
tert-butyl 4-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-nitroindazole-1-carboxylate
CID 172631902

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline?
The IUPAC name of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline (CID 170616433) is 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline.
What is the SMILES notation for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline?
The canonical SMILES for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline is COc1cc2ncc(-c3cc(N)cc(F)c3)n2cc1SC(C)(C)C.
What is the InChIKey of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline?
The InChIKey is FIVGZPZKUAHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-18(2,3)24-16-10-22-14(9-21-17(22)8-15(16)23-4)11-5-12(19)7-13(20)6-11/h5-10H,20H2,1-4H3.
What are the key properties of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline?
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline has a molecular weight of 345.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline is sourced from PubChem (CID 170616433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).