2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol

C28H28N4O — CID 137271434

IUPAC2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol
SMILESCN(C)c1ccc(-c2cn3c(O)c(C(C)(C)C)nc3c(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C28H28N4O/c1-28(2,3)25-27(33)32-17-23(19-13-15-20(16-14-19)31(4)5)29-24(26(32)30-25)22-12-8-10-18-9-6-7-11-21(18)22/h6-17,33H,1-5H3
InChIKeyGKUJZQHTPNFFCI-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.29
Rot. Bonds3

About 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol

2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137271434) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137271434
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol
SMILESCN(C)c1ccc(-c2cn3c(O)c(C(C)(C)C)nc3c(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C28H28N4O/c1-28(2,3)25-27(33)32-17-23(19-13-15-20(16-14-19)31(4)5)29-24(26(32)30-25)22-12-8-10-18-9-6-7-11-21(18)22/h6-17,33H,1-5H3
InChIKeyGKUJZQHTPNFFCI-UHFFFAOYSA-N
XLogP6.29
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137271431
8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol
CID 137271430
2-benzyl-6-phenyl-8-quinolin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 164517221
8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 177492667
N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline
CID 11234693
5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline
CID 58517561
4-(11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-13-yl)-N,N-dimethylaniline
CID 122524469
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
CID 158190422
N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline
CID 177100605
4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
CID 102433569
8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol
CID 136870464

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol (CID 137271434) is 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol is CN(C)c1ccc(-c2cn3c(O)c(C(C)(C)C)nc3c(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is GKUJZQHTPNFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-28(2,3)25-27(33)32-17-23(19-13-15-20(16-14-19)31(4)5)29-24(26(32)30-25)22-12-8-10-18-9-6-7-11-21(18)22/h6-17,33H,1-5H3.
What are the key properties of 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol?
2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 436.56 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137271434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).