1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol

C26H24N4O3 — CID 138535939

IUPAC1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
SMILESCOc1ccc(CCNc2c(-c3c(O)ccc4ccccc34)nc3cnccn23)cc1OC
InChIInChI=1S/C26H24N4O3/c1-32-21-10-7-17(15-22(21)33-2)11-12-28-26-25(29-23-16-27-13-14-30(23)26)24-19-6-4-3-5-18(19)8-9-20(24)31/h3-10,13-16,28,31H,11-12H2,1-2H3
InChIKeyJEYDOZRTKDNAIY-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.93
Rot. Bonds7

About 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol

1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol (PubChem CID 138535939) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
PubChem CID138535939
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
SMILESCOc1ccc(CCNc2c(-c3c(O)ccc4ccccc34)nc3cnccn23)cc1OC
InChIInChI=1S/C26H24N4O3/c1-32-21-10-7-17(15-22(21)33-2)11-12-28-26-25(29-23-16-27-13-14-30(23)26)24-19-6-4-3-5-18(19)8-9-20(24)31/h3-10,13-16,28,31H,11-12H2,1-2H3
InChIKeyJEYDOZRTKDNAIY-UHFFFAOYSA-N
XLogP4.93
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(3-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
CID 138535983
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]imidazo[1,2-a]pyrazin-3-amine
CID 16668578
1-[1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155566332
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
2-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674529
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 16675313
N-benzyl-2-[2-(4-tert-butylphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;2-[2-(4-tert-butylphenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-ethynylphenyl)imidazo[1,2-a]pyridin-3-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine;methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 167644533
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-amine
CID 16668400
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
2-[3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674314
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol (CID 138535939) is 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol is COc1ccc(CCNc2c(-c3c(O)ccc4ccccc34)nc3cnccn23)cc1OC.
What is the InChIKey of 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The InChIKey is JEYDOZRTKDNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-32-21-10-7-17(15-22(21)33-2)11-12-28-26-25(29-23-16-27-13-14-30(23)26)24-19-6-4-3-5-18(19)8-9-20(24)31/h3-10,13-16,28,31H,11-12H2,1-2H3.
What are the key properties of 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol has a molecular weight of 440.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 138535939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).