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

C19H22N4O4S — CID 129070928

IUPAC5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(-c4cc(C)c(=O)n(C)c4)cn23)C1
InChIInChI=1S/C19H22N4O4S/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/t16-/m0/s1
InChIKeyBJRWPYODSGMKGJ-INIZCTEOSA-N
MW402.48 g/mol
LogP1.42
Rot. Bonds4

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

5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 129070928) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 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.

Molecular Properties

Compound Name5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID129070928
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(-c4cc(C)c(=O)n(C)c4)cn23)C1
InChIInChI=1S/C19H22N4O4S/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/t16-/m0/s1
InChIKeyBJRWPYODSGMKGJ-INIZCTEOSA-N
XLogP1.42
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 129070928) is 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.
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?
The canonical SMILES for 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is CO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(-c4cc(C)c(=O)n(C)c4)cn23)C1.
What is the InChIKey of 5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is BJRWPYODSGMKGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O4S/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/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?
5-[3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 402.48 g/mol, XLogP of 1.42, 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 is sourced from PubChem (CID 129070928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).