4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide

C23H20N8O — CID 24857650

IUPAC4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
InChIInChI=1S/C23H20N8O/c32-23(26-9-7-16-2-1-8-24-12-16)17-3-5-19(6-4-17)30-21-22-25-10-11-31(22)20(15-27-21)18-13-28-29-14-18/h1-6,8,10-15H,7,9H2,(H,26,32)(H,27,30)(H,28,29)
InChIKeyRNZKWLMAFJIJNA-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.23
Rot. Bonds7

About 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide

4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 24857650) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID24857650
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
InChIInChI=1S/C23H20N8O/c32-23(26-9-7-16-2-1-8-24-12-16)17-3-5-19(6-4-17)30-21-22-25-10-11-31(22)20(15-27-21)18-13-28-29-14-18/h1-6,8,10-15H,7,9H2,(H,26,32)(H,27,30)(H,28,29)
InChIKeyRNZKWLMAFJIJNA-UHFFFAOYSA-N
XLogP3.23
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 24857007
N-(4-imidazol-1-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59023138
3-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 58873894
N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide
CID 143578182
N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 24857263
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide
CID 24857262
N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine
CID 71196462
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 59023029
N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 46240955
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 71158120

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide (CID 24857650) is 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide is O=C(NCCc1cccnc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1.
What is the InChIKey of 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is RNZKWLMAFJIJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c32-23(26-9-7-16-2-1-8-24-12-16)17-3-5-19(6-4-17)30-21-22-25-10-11-31(22)20(15-27-21)18-13-28-29-14-18/h1-6,8,10-15H,7,9H2,(H,26,32)(H,27,30)(H,28,29).
What are the key properties of 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide?
4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 424.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 24857650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).