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

C18H20FN3O4S — CID 170434806

IUPAC6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)n1
InChIInChI=1S/C18H20FN3O4S/c1-18(2,3)27(23,24)14-10-22-12(9-20-16(22)8-13(14)25-4)11-6-15(19)21-17(7-11)26-5/h6-10H,1-5H3
InChIKeyKYOCUXRSXRICCM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.12
Rot. Bonds4

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

6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 170434806) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine
PubChem CID170434806
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)n1
InChIInChI=1S/C18H20FN3O4S/c1-18(2,3)27(23,24)14-10-22-12(9-20-16(22)8-13(14)25-4)11-6-15(19)21-17(7-11)26-5/h6-10H,1-5H3
InChIKeyKYOCUXRSXRICCM-UHFFFAOYSA-N
XLogP3.12
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine (CID 170434806) is 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine is COc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)n1.
What is the InChIKey of 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is KYOCUXRSXRICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-18(2,3)27(23,24)14-10-22-12(9-20-16(22)8-13(14)25-4)11-6-15(19)21-17(7-11)26-5/h6-10H,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 393.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-(2-fluoro-6-methoxy-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 170434806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).