4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide

C24H24FN7O — CID 59023095

IUPAC4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide
SMILESCN1CCN(c2ccc(Nc3ncc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2F)CC1
InChIInChI=1S/C24H24FN7O/c1-30-10-12-31(13-11-30)20-7-6-18(14-19(20)25)29-23-24-27-8-9-32(24)21(15-28-23)16-2-4-17(5-3-16)22(26)33/h2-9,14-15H,10-13H2,1H3,(H2,26,33)(H,28,29)
InChIKeyFMEGZOXBKCIRCI-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.13
Rot. Bonds5

About 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide

4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide (PubChem CID 59023095) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide
PubChem CID59023095
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide
SMILESCN1CCN(c2ccc(Nc3ncc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2F)CC1
InChIInChI=1S/C24H24FN7O/c1-30-10-12-31(13-11-30)20-7-6-18(14-19(20)25)29-23-24-27-8-9-32(24)21(15-28-23)16-2-4-17(5-3-16)22(26)33/h2-9,14-15H,10-13H2,1H3,(H2,26,33)(H,28,29)
InChIKeyFMEGZOXBKCIRCI-UHFFFAOYSA-N
XLogP3.13
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide?
The IUPAC name of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide (CID 59023095) is 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide.
What is the SMILES notation for 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide?
The canonical SMILES for 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide is CN1CCN(c2ccc(Nc3ncc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2F)CC1.
What is the InChIKey of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide?
The InChIKey is FMEGZOXBKCIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-30-10-12-31(13-11-30)20-7-6-18(14-19(20)25)29-23-24-27-8-9-32(24)21(15-28-23)16-2-4-17(5-3-16)22(26)33/h2-9,14-15H,10-13H2,1H3,(H2,26,33)(H,28,29).
What are the key properties of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide?
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide has a molecular weight of 445.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]benzamide is sourced from PubChem (CID 59023095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).