4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C21H23ClN4O3 — CID 123774836

IUPAC4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(C)Oc3nc(Cl)cc4ncn(C)c34)CC2=O)cc1
InChIInChI=1S/C21H23ClN4O3/c1-13(29-21-20-17(9-18(22)24-21)23-12-25(20)2)15-8-19(27)26(11-15)10-14-4-6-16(28-3)7-5-14/h4-7,9,12-13,15H,8,10-11H2,1-3H3
InChIKeyZKWCQAFNLFJSHO-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.45
Rot. Bonds6

About 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 123774836) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID123774836
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(C)Oc3nc(Cl)cc4ncn(C)c34)CC2=O)cc1
InChIInChI=1S/C21H23ClN4O3/c1-13(29-21-20-17(9-18(22)24-21)23-12-25(20)2)15-8-19(27)26(11-15)10-14-4-6-16(28-3)7-5-14/h4-7,9,12-13,15H,8,10-11H2,1-3H3
InChIKeyZKWCQAFNLFJSHO-UHFFFAOYSA-N
XLogP3.45
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(1R)-1-[6-chloro-3-(propoxymethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 135157732
2-[[6-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-3-yl]methoxy]ethyl thiohypoiodite
CID 135157730
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
4-ethynyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 168500349
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696082
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 123774836) is 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CC(C(C)Oc3nc(Cl)cc4ncn(C)c34)CC2=O)cc1.
What is the InChIKey of 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZKWCQAFNLFJSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-13(29-21-20-17(9-18(22)24-21)23-12-25(20)2)15-8-19(27)26(11-15)10-14-4-6-16(28-3)7-5-14/h4-7,9,12-13,15H,8,10-11H2,1-3H3.
What are the key properties of 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 414.89 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 123774836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).