4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde

C19H21N7O — CID 143460963

IUPAC4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
SMILESCN1C=C(c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)C(C=O)N1
InChIInChI=1S/C19H21N7O/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/h4-12,16,23H,1-3H3,(H,20,22)
InChIKeyUVYOWLKIOZBUCU-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.90
Rot. Bonds5

About 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde

4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde (PubChem CID 143460963) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
PubChem CID143460963
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
SMILESCN1C=C(c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)C(C=O)N1
InChIInChI=1S/C19H21N7O/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/h4-12,16,23H,1-3H3,(H,20,22)
InChIKeyUVYOWLKIOZBUCU-UHFFFAOYSA-N
XLogP1.90
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
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]-1-methylpyrazole-3-carbaldehyde;ethane
CID 143461063
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
N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
CID 58873938
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
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 69034806
N-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126474587
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908
3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460489
4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
CID 166890004

Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde?
The IUPAC name of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde (CID 143460963) is 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde.
What is the SMILES notation for 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde?
The canonical SMILES for 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde is CN1C=C(c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)C(C=O)N1.
What is the InChIKey of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde?
The InChIKey is UVYOWLKIOZBUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/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/h4-12,16,23H,1-3H3,(H,20,22).
What are the key properties of 4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde?
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde has a molecular weight of 363.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 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]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde is sourced from PubChem (CID 143460963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).