N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline

C26H22N4O — CID 155566029

IUPACN-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline
SMILESCOc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1
InChIInChI=1S/C26H22N4O/c1-31-23-13-11-21(12-14-23)25-16-29-26-17-28-24(18-30(25)26)20-9-7-19(8-10-20)15-27-22-5-3-2-4-6-22/h2-14,16-18,27H,15H2,1H3
InChIKeyOYQXWDWASCYHRR-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.68
Rot. Bonds6

About N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline

N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline (PubChem CID 155566029) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline
PubChem CID155566029
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline
SMILESCOc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1
InChIInChI=1S/C26H22N4O/c1-31-23-13-11-21(12-14-23)25-16-29-26-17-28-24(18-30(25)26)20-9-7-19(8-10-20)15-27-22-5-3-2-4-6-22/h2-14,16-18,27H,15H2,1H3
InChIKeyOYQXWDWASCYHRR-UHFFFAOYSA-N
XLogP5.68
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
The IUPAC name of N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline (CID 155566029) is N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline.
What is the SMILES notation for N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
The canonical SMILES for N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline is COc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1.
What is the InChIKey of N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
The InChIKey is OYQXWDWASCYHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-31-23-13-11-21(12-14-23)25-16-29-26-17-28-24(18-30(25)26)20-9-7-19(8-10-20)15-27-22-5-3-2-4-6-22/h2-14,16-18,27H,15H2,1H3.
What are the key properties of N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline has a molecular weight of 406.49 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline is sourced from PubChem (CID 155566029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).