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

C19H22N4O3S — CID 135365906

IUPAC1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCC[C@@H]4C)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O3S/c1-13-9-16(11-21(3)19(13)24)15-6-7-17-20-10-18(22(17)12-15)27(25,26)23-8-4-5-14(23)2/h6-7,9-12,14H,4-5,8H2,1-3H3/t14-/m0/s1
InChIKeyVKCNZOAXHXJDMG-AWEZNQCLSA-N
MW386.48 g/mol
LogP2.18
Rot. Bonds3

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

1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one (PubChem CID 135365906) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
PubChem CID135365906
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCC[C@@H]4C)n3c2)cn(C)c1=O
InChIInChI=1S/C19H22N4O3S/c1-13-9-16(11-21(3)19(13)24)15-6-7-17-20-10-18(22(17)12-15)27(25,26)23-8-4-5-14(23)2/h6-7,9-12,14H,4-5,8H2,1-3H3/t14-/m0/s1
InChIKeyVKCNZOAXHXJDMG-AWEZNQCLSA-N
XLogP2.18
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine
CID 129053936
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide;molecular hydrogen
CID 145297525
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
(5R)-7-(3-chloro-5-methylphenyl)-5-methyl-3-(2-methylpyrrolidin-1-yl)sulfonyl-5-[(4-pyrimidin-5-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one
CID 142892294
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
5-(3-benzylimidazo[1,2-a]pyridin-6-yl)-1,3-dimethylpyridin-2-one;5-[3-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 159703083

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one (CID 135365906) is 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one is Cc1cc(-c2ccc3ncc(S(=O)(=O)N4CCC[C@@H]4C)n3c2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The InChIKey is VKCNZOAXHXJDMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-9-16(11-21(3)19(13)24)15-6-7-17-20-10-18(22(17)12-15)27(25,26)23-8-4-5-14(23)2/h6-7,9-12,14H,4-5,8H2,1-3H3/t14-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one has a molecular weight of 386.48 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one is sourced from PubChem (CID 135365906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).