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

C22H21FN4O3 — CID 126472660

IUPACN-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(-c2cnc3c(NCc4ccc(F)cc4)nccn23)cc(OC)c1OC
InChIInChI=1S/C22H21FN4O3/c1-28-18-10-15(11-19(29-2)20(18)30-3)17-13-26-22-21(24-8-9-27(17)22)25-12-14-4-6-16(23)7-5-14/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKeyOJOIJDXFLSWOFX-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.17
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126472660) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID126472660
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(-c2cnc3c(NCc4ccc(F)cc4)nccn23)cc(OC)c1OC
InChIInChI=1S/C22H21FN4O3/c1-28-18-10-15(11-19(29-2)20(18)30-3)17-13-26-22-21(24-8-9-27(17)22)25-12-14-4-6-16(23)7-5-14/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKeyOJOIJDXFLSWOFX-UHFFFAOYSA-N
XLogP4.17
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)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 N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 126472660) is N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1cc(-c2cnc3c(NCc4ccc(F)cc4)nccn23)cc(OC)c1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OJOIJDXFLSWOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-28-18-10-15(11-19(29-2)20(18)30-3)17-13-26-22-21(24-8-9-27(17)22)25-12-14-4-6-16(23)7-5-14/h4-11,13H,12H2,1-3H3,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 408.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126472660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).