N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline

C28H26N4O3 — CID 155556026

IUPACN-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc(OC)c1OC
InChIInChI=1S/C28H26N4O3/c1-33-25-13-21(14-26(34-2)28(25)35-3)24-16-31-27-17-30-23(18-32(24)27)20-11-9-19(10-12-20)15-29-22-7-5-4-6-8-22/h4-14,16-18,29H,15H2,1-3H3
InChIKeyAWOMAJLALIFUFQ-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.70
Rot. Bonds8

About N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline

N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline (PubChem CID 155556026) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline
PubChem CID155556026
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc(OC)c1OC
InChIInChI=1S/C28H26N4O3/c1-33-25-13-21(14-26(34-2)28(25)35-3)24-16-31-27-17-30-23(18-32(24)27)20-11-9-19(10-12-20)15-29-22-7-5-4-6-8-22/h4-14,16-18,29H,15H2,1-3H3
InChIKeyAWOMAJLALIFUFQ-UHFFFAOYSA-N
XLogP5.70
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
The IUPAC name of N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline (CID 155556026) is N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline.
What is the SMILES notation for N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
The canonical SMILES for N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline is COc1cc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc(OC)c1OC.
What is the InChIKey of N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
The InChIKey is AWOMAJLALIFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-33-25-13-21(14-26(34-2)28(25)35-3)24-16-31-27-17-30-23(18-32(24)27)20-11-9-19(10-12-20)15-29-22-7-5-4-6-8-22/h4-14,16-18,29H,15H2,1-3H3.
What are the key properties of N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline?
N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline has a molecular weight of 466.54 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl]aniline is sourced from PubChem (CID 155556026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).