6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine

C19H21FN2O4S — CID 170616537

IUPAC6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-19(2,3)27(23,24)17-11-22-14(10-21-18(22)9-16(17)26-5)12-6-7-15(25-4)13(20)8-12/h6-11H,1-5H3
InChIKeyHMUCTJMZRXKHQG-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.73
Rot. Bonds4

About 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine

6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 170616537) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
PubChem CID170616537
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-19(2,3)27(23,24)17-11-22-14(10-21-18(22)9-16(17)26-5)12-6-7-15(25-4)13(20)8-12/h6-11H,1-5H3
InChIKeyHMUCTJMZRXKHQG-UHFFFAOYSA-N
XLogP3.73
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine (CID 170616537) is 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine is COc1ccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1F.
What is the InChIKey of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is HMUCTJMZRXKHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-19(2,3)27(23,24)17-11-22-14(10-21-18(22)9-16(17)26-5)12-6-7-15(25-4)13(20)8-12/h6-11H,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 392.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 170616537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).