4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane

C21H25N7O — CID 143461063

IUPAC4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
SMILESCC.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4C=O)cnc23)c1
InChIInChI=1S/C19H19N7O.C2H6/c1-24(2)14-6-4-5-13(9-14)22-18-19-21-10-17(26(19)8-7-20-18)15-11-25(3)23-16(15)12-27;1-2/h4-12H,1-3H3,(H,20,22);1-2H3
InChIKeyZXWZTOKWQNWEMH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.78
Rot. Bonds5

About 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane

4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane (PubChem CID 143461063) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane.

Molecular Properties

Compound Name4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
PubChem CID143461063
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
SMILESCC.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4C=O)cnc23)c1
InChIInChI=1S/C19H19N7O.C2H6/c1-24(2)14-6-4-5-13(9-14)22-18-19-21-10-17(26(19)8-7-20-18)15-11-25(3)23-16(15)12-27;1-2/h4-12H,1-3H3,(H,20,22);1-2H3
InChIKeyZXWZTOKWQNWEMH-UHFFFAOYSA-N
XLogP3.78
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane?
The IUPAC name of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane (CID 143461063) is 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane.
What is the SMILES notation for 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane?
The canonical SMILES for 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane is CC.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4C=O)cnc23)c1.
What is the InChIKey of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane?
The InChIKey is ZXWZTOKWQNWEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O.C2H6/c1-24(2)14-6-4-5-13(9-14)22-18-19-21-10-17(26(19)8-7-20-18)15-11-25(3)23-16(15)12-27;1-2/h4-12H,1-3H3,(H,20,22);1-2H3.
What are the key properties of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane?
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane has a molecular weight of 391.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane is sourced from PubChem (CID 143461063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).