8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol

C32H30N4O — CID 137271430

IUPAC8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol
SMILESCN(C)c1ccc(-c2cn3c(O)c(C(C)(C)C)nc3c(-c3c4ccccc4cc4ccccc34)n2)cc1
InChIInChI=1S/C32H30N4O/c1-32(2,3)29-31(37)36-19-26(20-14-16-23(17-15-20)35(4)5)33-28(30(36)34-29)27-24-12-8-6-10-21(24)18-22-11-7-9-13-25(22)27/h6-19,37H,1-5H3
InChIKeyWRBOMNRSHMWMPW-UHFFFAOYSA-N
MW486.62 g/mol
LogP7.44
Rot. Bonds3

About 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol

8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 137271430) has the molecular formula C32H30N4O and a molecular weight of 486.62 g/mol. Its IUPAC name is 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol
PubChem CID137271430
Molecular FormulaC32H30N4O
Molecular Weight486.62 g/mol
Exact Mass486.24
IUPAC Name8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol
SMILESCN(C)c1ccc(-c2cn3c(O)c(C(C)(C)C)nc3c(-c3c4ccccc4cc4ccccc34)n2)cc1
InChIInChI=1S/C32H30N4O/c1-32(2,3)29-31(37)36-19-26(20-14-16-23(17-15-20)35(4)5)33-28(30(36)34-29)27-24-12-8-6-10-21(24)18-22-11-7-9-13-25(22)27/h6-19,37H,1-5H3
InChIKeyWRBOMNRSHMWMPW-UHFFFAOYSA-N
XLogP7.44
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol (CID 137271430) is 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol is CN(C)c1ccc(-c2cn3c(O)c(C(C)(C)C)nc3c(-c3c4ccccc4cc4ccccc34)n2)cc1.
What is the InChIKey of 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is WRBOMNRSHMWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O/c1-32(2,3)29-31(37)36-19-26(20-14-16-23(17-15-20)35(4)5)33-28(30(36)34-29)27-24-12-8-6-10-21(24)18-22-11-7-9-13-25(22)27/h6-19,37H,1-5H3.
What are the key properties of 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol?
8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 486.62 g/mol, XLogP of 7.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137271430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).