N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide

C21H19N5O3 — CID 127039883

IUPACN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1OC
InChIInChI=1S/C21H19N5O3/c1-28-17-7-6-14(11-18(17)29-2)21(27)25-15-5-3-4-13(10-15)16-12-24-20-19(22)23-8-9-26(16)20/h3-12H,1-2H3,(H2,22,23)(H,25,27)
InChIKeyJIYPUOZBHHTNKT-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.25
Rot. Bonds5

About N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide

N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 127039883) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID127039883
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1OC
InChIInChI=1S/C21H19N5O3/c1-28-17-7-6-14(11-18(17)29-2)21(27)25-15-5-3-4-13(10-15)16-12-24-20-19(22)23-8-9-26(16)20/h3-12H,1-2H3,(H2,22,23)(H,25,27)
InChIKeyJIYPUOZBHHTNKT-UHFFFAOYSA-N
XLogP3.25
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide (CID 127039883) is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1OC.
What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is JIYPUOZBHHTNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-28-17-7-6-14(11-18(17)29-2)21(27)25-15-5-3-4-13(10-15)16-12-24-20-19(22)23-8-9-26(16)20/h3-12H,1-2H3,(H2,22,23)(H,25,27).
What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 389.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 127039883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).