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'}

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Related Compounds

4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
CID 143460963
1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 143460831
3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
CID 143460922
ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143757075
1-N-ethyl-3-N-[3-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
CID 143460997
1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 157365133
1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;1-N-[3-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-(3-quinolin-3-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 159805074
1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;N-[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 160873557
4-[[3-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzaldehyde
CID 166522249
1-N-[3-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;3-N,3-N-dimethyl-1-N-[3-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;ethyl 3-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]benzoate;1-N-[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 158790960
N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
CID 58873938
3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460489

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).