4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide

C23H23N5O3 — CID 91526165

IUPAC4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide
SMILESCOc1ccc(Nc2nc(CCc3ccc(C(N)=O)cc3)cn3ccnc23)cc1OC
InChIInChI=1S/C23H23N5O3/c1-30-19-10-9-17(13-20(19)31-2)26-22-23-25-11-12-28(23)14-18(27-22)8-5-15-3-6-16(7-4-15)21(24)29/h3-4,6-7,9-14H,5,8H2,1-2H3,(H2,24,29)(H,26,27)
InChIKeySOSFQNSQNHXLLR-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.37
Rot. Bonds8

About 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide

4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide (PubChem CID 91526165) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide
PubChem CID91526165
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide
SMILESCOc1ccc(Nc2nc(CCc3ccc(C(N)=O)cc3)cn3ccnc23)cc1OC
InChIInChI=1S/C23H23N5O3/c1-30-19-10-9-17(13-20(19)31-2)26-22-23-25-11-12-28(23)14-18(27-22)8-5-15-3-6-16(7-4-15)21(24)29/h3-4,6-7,9-14H,5,8H2,1-2H3,(H2,24,29)(H,26,27)
InChIKeySOSFQNSQNHXLLR-UHFFFAOYSA-N
XLogP3.37
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473562
1-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-pyridin-3-ylpropan-1-one
CID 159019087
4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-formylanilino]methyl]benzoic acid
CID 87651146
N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473196
7-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-quinolin-2-one
CID 59473373
6-(1,2-dihydropyridin-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 67423925
N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine
CID 134327262
N-(4-chloro-3-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 107623718
6-(3-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473185
6-(2,3-dihydro-1H-indol-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473507
6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine
CID 90827170

Frequently Asked Questions

What is the IUPAC name of 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide?
The IUPAC name of 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide (CID 91526165) is 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide?
The canonical SMILES for 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide is COc1ccc(Nc2nc(CCc3ccc(C(N)=O)cc3)cn3ccnc23)cc1OC.
What is the InChIKey of 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide?
The InChIKey is SOSFQNSQNHXLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-30-19-10-9-17(13-20(19)31-2)26-22-23-25-11-12-28(23)14-18(27-22)8-5-15-3-6-16(7-4-15)21(24)29/h3-4,6-7,9-14H,5,8H2,1-2H3,(H2,24,29)(H,26,27).
What are the key properties of 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide?
4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide is sourced from PubChem (CID 91526165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).