N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide

C22H23N7O2 — CID 126474062

IUPACN-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(Cc4ccccn4)c3n2)c1
InChIInChI=1S/C22H23N7O2/c1-28(2)11-10-24-21(30)16-7-5-6-15(12-16)18-13-25-19-20(26-18)29(22(31)27-19)14-17-8-3-4-9-23-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,30)(H,25,27,31)
InChIKeyJBZWJVWRDRNFAS-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.52
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide (PubChem CID 126474062) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
PubChem CID126474062
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(Cc4ccccn4)c3n2)c1
InChIInChI=1S/C22H23N7O2/c1-28(2)11-10-24-21(30)16-7-5-6-15(12-16)18-13-25-19-20(26-18)29(22(31)27-19)14-17-8-3-4-9-23-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,30)(H,25,27,31)
InChIKeyJBZWJVWRDRNFAS-UHFFFAOYSA-N
XLogP1.52
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123827591
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
CID 144980314
5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid
CID 135520466
3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 25106430
N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide
CID 126470712
N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide
CID 23513989
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
CID 71729713
N-[2-(dimethylamino)ethyl]-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683760
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide (CID 126474062) is N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(Cc4ccccn4)c3n2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The InChIKey is JBZWJVWRDRNFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28(2)11-10-24-21(30)16-7-5-6-15(12-16)18-13-25-19-20(26-18)29(22(31)27-19)14-17-8-3-4-9-23-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,30)(H,25,27,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide is sourced from PubChem (CID 126474062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).