4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one

C17H18FN3O4S — CID 170434812

IUPAC4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one
SMILESCOc1cc2ncc(-c3cc(F)[nH]c(=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H18FN3O4S/c1-17(2,3)26(23,24)13-9-21-11(8-19-15(21)7-12(13)25-4)10-5-14(18)20-16(22)6-10/h5-9H,1-4H3,(H,20,22)
InChIKeySAMZLQHTWZANEC-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.41
Rot. Bonds3

About 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one

4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one (PubChem CID 170434812) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one
PubChem CID170434812
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one
SMILESCOc1cc2ncc(-c3cc(F)[nH]c(=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H18FN3O4S/c1-17(2,3)26(23,24)13-9-21-11(8-19-15(21)7-12(13)25-4)10-5-14(18)20-16(22)6-10/h5-9H,1-4H3,(H,20,22)
InChIKeySAMZLQHTWZANEC-UHFFFAOYSA-N
XLogP2.41
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one (CID 170434812) is 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one is COc1cc2ncc(-c3cc(F)[nH]c(=O)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one?
The InChIKey is SAMZLQHTWZANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-17(2,3)26(23,24)13-9-21-11(8-19-15(21)7-12(13)25-4)10-5-14(18)20-16(22)6-10/h5-9H,1-4H3,(H,20,22).
What are the key properties of 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one?
4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one has a molecular weight of 379.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 170434812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).