1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide

C28H28N4O4 — CID 55825518

IUPAC1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C28H28N4O4/c1-18-7-6-8-23(19(18)2)32-15-20(13-27(32)33)28(34)30-21-10-11-24(35-3)25(14-21)36-17-22-16-31-12-5-4-9-26(31)29-22/h4-12,14,16,20H,13,15,17H2,1-3H3,(H,30,34)
InChIKeyRALXSEMFQNUMBT-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.53
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55825518) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55825518
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C28H28N4O4/c1-18-7-6-8-23(19(18)2)32-15-20(13-27(32)33)28(34)30-21-10-11-24(35-3)25(14-21)36-17-22-16-31-12-5-4-9-26(31)29-22/h4-12,14,16,20H,13,15,17H2,1-3H3,(H,30,34)
InChIKeyRALXSEMFQNUMBT-UHFFFAOYSA-N
XLogP4.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859782
3-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119859749
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56530985
2-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-methylpropanamide
CID 119859743
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43068313
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-pyrrolidin-2-ylacetamide
CID 119859777
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 55825518) is 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1OCc1cn2ccccc2n1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RALXSEMFQNUMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-18-7-6-8-23(19(18)2)32-15-20(13-27(32)33)28(34)30-21-10-11-24(35-3)25(14-21)36-17-22-16-31-12-5-4-9-26(31)29-22/h4-12,14,16,20H,13,15,17H2,1-3H3,(H,30,34).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55825518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).