N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C24H26N4O3 — CID 126475213

IUPACN-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(-c2cnc(NCCCc3ccccc3)c3nccn23)cc(OC)c1OC
InChIInChI=1S/C24H26N4O3/c1-29-20-14-18(15-21(30-2)22(20)31-3)19-16-27-23(24-26-12-13-28(19)24)25-11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-16H,7,10-11H2,1-3H3,(H,25,27)
InChIKeyXYJGRCOYMGUFQF-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.47
Rot. Bonds9

About N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126475213) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID126475213
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(-c2cnc(NCCCc3ccccc3)c3nccn23)cc(OC)c1OC
InChIInChI=1S/C24H26N4O3/c1-29-20-14-18(15-21(30-2)22(20)31-3)19-16-27-23(24-26-12-13-28(19)24)25-11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-16H,7,10-11H2,1-3H3,(H,25,27)
InChIKeyXYJGRCOYMGUFQF-UHFFFAOYSA-N
XLogP4.47
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126474524
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
N-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241898
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205361
5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472247
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
5-(2,4-dimethoxyphenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 126475370
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
3-(2-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrazin-8-amine
CID 126472598
N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857590
8-N-(3-phenylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80790130

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 126475213) is N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1cc(-c2cnc(NCCCc3ccccc3)c3nccn23)cc(OC)c1OC.
What is the InChIKey of N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is XYJGRCOYMGUFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-29-20-14-18(15-21(30-2)22(20)31-3)19-16-27-23(24-26-12-13-28(19)24)25-11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-16H,7,10-11H2,1-3H3,(H,25,27).
What are the key properties of N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 418.50 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126475213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).