4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C22H26N4O4 — CID 123591299

IUPAC4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3nc(C)n(C)c3c(OC(C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C22H26N4O4/c1-12(15-9-20(27)23-11-15)30-22-21-17(24-13(2)26(21)3)10-16(25-22)14-6-7-18(28-4)19(8-14)29-5/h6-8,10,12,15H,9,11H2,1-5H3,(H,23,27)
InChIKeyMXPUHTFXHZFZQW-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.86
Rot. Bonds6

About 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123591299) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123591299
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3nc(C)n(C)c3c(OC(C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C22H26N4O4/c1-12(15-9-20(27)23-11-15)30-22-21-17(24-13(2)26(21)3)10-16(25-22)14-6-7-18(28-4)19(8-14)29-5/h6-8,10,12,15H,9,11H2,1-5H3,(H,23,27)
InChIKeyMXPUHTFXHZFZQW-UHFFFAOYSA-N
XLogP2.86
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123901063
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
CID 76687212
4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123899629
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
CID 58071915
(4R)-4-[(1R)-1-[6-(6-methoxy-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401297
(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157445580
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 76687088
(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 162323720
(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401316
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
4-[1-[6-(1,3-benzothiazol-6-yl)-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123702258

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123591299) is 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc(-c2cc3nc(C)n(C)c3c(OC(C)C3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MXPUHTFXHZFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-12(15-9-20(27)23-11-15)30-22-21-17(24-13(2)26(21)3)10-16(25-22)14-6-7-18(28-4)19(8-14)29-5/h6-8,10,12,15H,9,11H2,1-5H3,(H,23,27).
What are the key properties of 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 410.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123591299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).