1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine

C23H28N6O — CID 111413118

IUPAC1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCCC2=O)cc1)NCCc1cn2ccccc2n1
InChIInChI=1S/C23H28N6O/c1-2-24-23(25-13-12-19-17-28-14-4-3-6-21(28)27-19)26-16-18-8-10-20(11-9-18)29-15-5-7-22(29)30/h3-4,6,8-11,14,17H,2,5,7,12-13,15-16H2,1H3,(H2,24,25,26)
InChIKeyTVDHFGOIFXYCDC-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.76
Rot. Bonds7

About 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine (PubChem CID 111413118) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
PubChem CID111413118
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCCC2=O)cc1)NCCc1cn2ccccc2n1
InChIInChI=1S/C23H28N6O/c1-2-24-23(25-13-12-19-17-28-14-4-3-6-21(28)27-19)26-16-18-8-10-20(11-9-18)29-15-5-7-22(29)30/h3-4,6,8-11,14,17H,2,5,7,12-13,15-16H2,1H3,(H2,24,25,26)
InChIKeyTVDHFGOIFXYCDC-UHFFFAOYSA-N
XLogP2.76
TPSA74.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(3-phenylpropyl)guanidine
CID 111198560
1-butyl-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111151756
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111934738
1-ethyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111519448
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111355002
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111573451
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111213185
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111413634
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111843735
1-tert-butyl-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 110966358
1-ethyl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415849
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111787575

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine (CID 111413118) is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine is CCN/C(=N\Cc1ccc(N2CCCC2=O)cc1)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine?
The InChIKey is TVDHFGOIFXYCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-2-24-23(25-13-12-19-17-28-14-4-3-6-21(28)27-19)26-16-18-8-10-20(11-9-18)29-15-5-7-22(29)30/h3-4,6,8-11,14,17H,2,5,7,12-13,15-16H2,1H3,(H2,24,25,26).
What are the key properties of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine?
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine has a molecular weight of 404.52 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine is sourced from PubChem (CID 111413118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).