5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane

C19H24N4O4S2 — CID 157281841

IUPAC5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane
SMILESCO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(-c4cc(C)c(=O)n(C)c4)cn23)C1.S
InChIInChI=1S/C19H22N4O4S.H2S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)28(25,26)22-7-6-16(12-22)27-3;/h4-5,8-11,16H,6-7,12H2,1-3H3;1H2/t16-;/m0./s1
InChIKeyAZTHLSPGEOHWRC-NTISSMGPSA-N
MW436.56 g/mol
LogP1.53
Rot. Bonds4

About 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane

5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane (PubChem CID 157281841) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane.

Molecular Properties

Compound Name5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane
PubChem CID157281841
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane
SMILESCO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(-c4cc(C)c(=O)n(C)c4)cn23)C1.S
InChIInChI=1S/C19H22N4O4S.H2S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)28(25,26)22-7-6-16(12-22)27-3;/h4-5,8-11,16H,6-7,12H2,1-3H3;1H2/t16-;/m0./s1
InChIKeyAZTHLSPGEOHWRC-NTISSMGPSA-N
XLogP1.53
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(6-Methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 4786108
1-(2-methoxyethyl)-3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 91909927
N-[5-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-ylsulfonyl)-2-methylhexa-2,4-dienyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 123937801
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
CID 129053937
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053959
N-cyclohexyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053961
N-cyclopentyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053992
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053993
5-(3-Cyclopentylsulfonylimidazo[1,2-a]pyridin-6-yl)-1,3-dimethylpyridin-2-one
CID 129070256
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129070258
1,3-Dimethyl-5-(3-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070267
1,3-Dimethyl-5-(3-pyrrolidin-1-ylsulfanylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 129070268

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane?
The IUPAC name of 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane (CID 157281841) is 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane.
What is the SMILES notation for 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane?
The canonical SMILES for 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane is CO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(-c4cc(C)c(=O)n(C)c4)cn23)C1.S.
What is the InChIKey of 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane?
The InChIKey is AZTHLSPGEOHWRC-NTISSMGPSA-N. The full InChI is InChI=1S/C19H22N4O4S.H2S/c1-13-8-15(10-21(2)19(13)24)14-4-5-17-20-9-18(23(17)11-14)28(25,26)22-7-6-16(12-22)27-3;/h4-5,8-11,16H,6-7,12H2,1-3H3;1H2/t16-;/m0./s1.
What are the key properties of 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane?
5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane has a molecular weight of 436.56 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;sulfane is sourced from PubChem (CID 157281841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).