ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine

C21H29N6P — CID 143757075

IUPACethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC.CC.CPc1cccc(Nc2nccn3c(-c4cncn4C)cnc23)c1
InChIInChI=1S/C17H17N6P.2C2H6/c1-22-11-18-9-14(22)15-10-20-17-16(19-6-7-23(15)17)21-12-4-3-5-13(8-12)24-2;2*1-2/h3-11,24H,1-2H3,(H,19,21);2*1-2H3
InChIKeyGMXWLSVDHMMIOX-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.86
Rot. Bonds4

About ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine

ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143757075) has the molecular formula C21H29N6P and a molecular weight of 396.48 g/mol. Its IUPAC name is ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Nameethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143757075
Molecular FormulaC21H29N6P
Molecular Weight396.48 g/mol
Exact Mass396.22
IUPAC Nameethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC.CC.CPc1cccc(Nc2nccn3c(-c4cncn4C)cnc23)c1
InChIInChI=1S/C17H17N6P.2C2H6/c1-22-11-18-9-14(22)15-10-20-17-16(19-6-7-23(15)17)21-12-4-3-5-13(8-12)24-2;2*1-2/h3-11,24H,1-2H3,(H,19,21);2*1-2H3
InChIKeyGMXWLSVDHMMIOX-UHFFFAOYSA-N
XLogP4.86
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-3-N-[3-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
CID 143460997
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
CID 143461063
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908
3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
CID 143460922
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
CID 143460963
3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460489
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 25207625
N-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 25192302
4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
CID 166890004
N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
CID 58873938
5-bromo-N-phenylimidazo[1,2-a]pyrazin-8-amine
CID 87086919
3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 143757075) is ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine is CC.CC.CPc1cccc(Nc2nccn3c(-c4cncn4C)cnc23)c1.
What is the InChIKey of ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GMXWLSVDHMMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N6P.2C2H6/c1-22-11-18-9-14(22)15-10-20-17-16(19-6-7-23(15)17)21-12-4-3-5-13(8-12)24-2;2*1-2/h3-11,24H,1-2H3,(H,19,21);2*1-2H3.
What are the key properties of ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine?
ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 396.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methylimidazol-4-yl)-N-(3-methylphosphanylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143757075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).