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

C17H17F2N3O3S — CID 170616376

IUPAC6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3cc(F)cc(F)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H17F2N3O3S/c1-17(2,3)26(23,24)14-9-22-12(8-20-16(22)7-13(14)25-4)11-5-10(18)6-15(19)21-11/h5-9H,1-4H3
InChIKeyDSNVBZKPHSLDLA-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.26
Rot. Bonds3

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

6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 170616376) has the molecular formula C17H17F2N3O3S and a molecular weight of 381.40 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine
PubChem CID170616376
Molecular FormulaC17H17F2N3O3S
Molecular Weight381.40 g/mol
Exact Mass381.10
IUPAC Name6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3cc(F)cc(F)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H17F2N3O3S/c1-17(2,3)26(23,24)14-9-22-12(8-20-16(22)7-13(14)25-4)11-5-10(18)6-15(19)21-11/h5-9H,1-4H3
InChIKeyDSNVBZKPHSLDLA-UHFFFAOYSA-N
XLogP3.26
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine (CID 170616376) is 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine is COc1cc2ncc(-c3cc(F)cc(F)n3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is DSNVBZKPHSLDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S/c1-17(2,3)26(23,24)14-9-22-12(8-20-16(22)7-13(14)25-4)11-5-10(18)6-15(19)21-11/h5-9H,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 381.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-(4,6-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 170616376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).