6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine

C19H21FN2OS — CID 170616482

IUPAC6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3cc(C)cc(F)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C19H21FN2OS/c1-12-6-13(8-14(20)7-12)15-10-21-18-9-16(23-5)17(11-22(15)18)24-19(2,3)4/h6-11H,1-5H3
InChIKeyQRWSKBGODHQVMD-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.35
Rot. Bonds3

About 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine

6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 170616482) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
PubChem CID170616482
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3cc(C)cc(F)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C19H21FN2OS/c1-12-6-13(8-14(20)7-12)15-10-21-18-9-16(23-5)17(11-22(15)18)24-19(2,3)4/h6-11H,1-5H3
InChIKeyQRWSKBGODHQVMD-UHFFFAOYSA-N
XLogP5.35
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
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-methoxy-N-(oxetan-3-ylsulfanyl)aniline
CID 178093970
[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
CID 172631516
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-(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
[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol
CID 170616530

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine (CID 170616482) is 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine is COc1cc2ncc(-c3cc(C)cc(F)c3)n2cc1SC(C)(C)C.
What is the InChIKey of 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is QRWSKBGODHQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-12-6-13(8-14(20)7-12)15-10-21-18-9-16(23-5)17(11-22(15)18)24-19(2,3)4/h6-11H,1-5H3.
What are the key properties of 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 344.46 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 170616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).