N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide

C21H25N5O — CID 119142839

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1cn2ccccc2n1)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C21H25N5O/c1-22-21(23-13-18-15-25-11-4-3-5-20(25)24-18)26-12-10-17(14-26)16-6-8-19(27-2)9-7-16/h3-9,11,15,17H,10,12-14H2,1-2H3,(H,22,23)
InChIKeyUXSQLKILDICJGN-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.91
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 119142839) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID119142839
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1cn2ccccc2n1)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C21H25N5O/c1-22-21(23-13-18-15-25-11-4-3-5-20(25)24-18)26-12-10-17(14-26)16-6-8-19(27-2)9-7-16/h3-9,11,15,17H,10,12-14H2,1-2H3,(H,22,23)
InChIKeyUXSQLKILDICJGN-UHFFFAOYSA-N
XLogP2.91
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
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

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131807
N-benzyl-2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]acetamide
CID 111731583
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723706
3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
CID 111731071
3-(4-methoxyphenyl)-N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142828
3-(4-methoxyphenyl)-N'-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111731081
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111732092
3-(4-methoxyphenyl)-N'-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111732077
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111732212
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731366
N-(2-ethylbutyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994700
2-chloro-N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111731420

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide (CID 119142839) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NCc1cn2ccccc2n1)N1CCC(c2ccc(OC)cc2)C1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is UXSQLKILDICJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-22-21(23-13-18-15-25-11-4-3-5-20(25)24-18)26-12-10-17(14-26)16-6-8-19(27-2)9-7-16/h3-9,11,15,17H,10,12-14H2,1-2H3,(H,22,23).
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 363.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119142839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).