[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C20H20FN3O3S — CID 73168117

IUPAC[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O3S/c1-14-19(24-11-3-2-4-18(24)22-14)20(25)23-12-9-17(10-13-23)28(26,27)16-7-5-15(21)6-8-16/h2-8,11,17H,9-10,12-13H2,1H3
InChIKeyHFRWYODNGMAXDO-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.86
Rot. Bonds3

About [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 73168117) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID73168117
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN3O3S/c1-14-19(24-11-3-2-4-18(24)22-14)20(25)23-12-9-17(10-13-23)28(26,27)16-7-5-15(21)6-8-16/h2-8,11,17H,9-10,12-13H2,1H3
InChIKeyHFRWYODNGMAXDO-UHFFFAOYSA-N
XLogP2.86
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 73168117) is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc2ccccn2c1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is HFRWYODNGMAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-14-19(24-11-3-2-4-18(24)22-14)20(25)23-12-9-17(10-13-23)28(26,27)16-7-5-15(21)6-8-16/h2-8,11,17H,9-10,12-13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 401.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 73168117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).