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

C21H21N5O3 — CID 126471698

IUPAC5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2ncc(-c3cccnc3)n3ccnc23)cc(OC)c1OC
InChIInChI=1S/C21H21N5O3/c1-27-17-9-14(10-18(28-2)19(17)29-3)11-24-20-21-23-7-8-26(21)16(13-25-20)15-5-4-6-22-12-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)
InChIKeyCOTWHSKXUAWWFL-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.43
Rot. Bonds7

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

5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126471698) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126471698
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2ncc(-c3cccnc3)n3ccnc23)cc(OC)c1OC
InChIInChI=1S/C21H21N5O3/c1-27-17-9-14(10-18(28-2)19(17)29-3)11-24-20-21-23-7-8-26(21)16(13-25-20)15-5-4-6-22-12-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)
InChIKeyCOTWHSKXUAWWFL-UHFFFAOYSA-N
XLogP3.43
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine 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 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 126471698) is 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(CNc2ncc(-c3cccnc3)n3ccnc23)cc(OC)c1OC.
What is the InChIKey of 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is COTWHSKXUAWWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-27-17-9-14(10-18(28-2)19(17)29-3)11-24-20-21-23-7-8-26(21)16(13-25-20)15-5-4-6-22-12-15/h4-10,12-13H,11H2,1-3H3,(H,24,25).
What are the key properties of 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 391.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126471698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).