N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline

C23H24N4O2 — CID 67422487

IUPACN-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline
SMILESCCN(Cc1cccc(-c2cn3ccnc3cn2)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H24N4O2/c1-4-26(19-8-9-21(28-2)22(13-19)29-3)15-17-6-5-7-18(12-17)20-16-27-11-10-24-23(27)14-25-20/h5-14,16H,4,15H2,1-3H3
InChIKeyPOFXNIDZBQEWJP-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.44
Rot. Bonds7

About N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline

N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline (PubChem CID 67422487) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline
PubChem CID67422487
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline
SMILESCCN(Cc1cccc(-c2cn3ccnc3cn2)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H24N4O2/c1-4-26(19-8-9-21(28-2)22(13-19)29-3)15-17-6-5-7-18(12-17)20-16-27-11-10-24-23(27)14-25-20/h5-14,16H,4,15H2,1-3H3
InChIKeyPOFXNIDZBQEWJP-UHFFFAOYSA-N
XLogP4.44
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline?
The IUPAC name of N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline (CID 67422487) is N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline is CCN(Cc1cccc(-c2cn3ccnc3cn2)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline?
The InChIKey is POFXNIDZBQEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-26(19-8-9-21(28-2)22(13-19)29-3)15-17-6-5-7-18(12-17)20-16-27-11-10-24-23(27)14-25-20/h5-14,16H,4,15H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline?
N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline has a molecular weight of 388.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-3,4-dimethoxyaniline is sourced from PubChem (CID 67422487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).