1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide

C26H28N4O4 — CID 55884782

IUPAC1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)CC2=O)c1
InChIInChI=1S/C26H28N4O4/c1-33-20-10-11-23(34-2)22(14-20)30-15-18(13-25(30)31)26(32)27-19-8-6-17(7-9-19)21-16-29-12-4-3-5-24(29)28-21/h6-11,14,16,18H,3-5,12-13,15H2,1-2H3,(H,27,32)
InChIKeyMJGQSFIZFXFSMD-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.90
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide

1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55884782) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55884782
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)CC2=O)c1
InChIInChI=1S/C26H28N4O4/c1-33-20-10-11-23(34-2)22(14-20)30-15-18(13-25(30)31)26(32)27-19-8-6-17(7-9-19)21-16-29-12-4-3-5-24(29)28-21/h6-11,14,16,18H,3-5,12-13,15H2,1-2H3,(H,27,32)
InChIKeyMJGQSFIZFXFSMD-UHFFFAOYSA-N
XLogP3.90
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
(3R)-N-(4-bromo-3-methylphenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40932432
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide (CID 55884782) is 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MJGQSFIZFXFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-33-20-10-11-23(34-2)22(14-20)30-15-18(13-25(30)31)26(32)27-19-8-6-17(7-9-19)21-16-29-12-4-3-5-24(29)28-21/h6-11,14,16,18H,3-5,12-13,15H2,1-2H3,(H,27,32).
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55884782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).