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

C22H21FN4O3 — CID 126472520

IUPAC3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C22H21FN4O3/c1-28-18-10-14(11-19(29-2)20(18)30-3)12-25-21-22-26-13-17(27(22)9-8-24-21)15-4-6-16(23)7-5-15/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKeyGOIACDLUOGCLLC-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.17
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126472520) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126472520
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C22H21FN4O3/c1-28-18-10-14(11-19(29-2)20(18)30-3)12-25-21-22-26-13-17(27(22)9-8-24-21)15-4-6-16(23)7-5-15/h4-11,13H,12H2,1-3H3,(H,24,25)
InChIKeyGOIACDLUOGCLLC-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

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Related Compounds

N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
N-[(4-fluorophenyl)methyl]-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126475158
5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126474524
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205361
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802
6-(4-fluorophenyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56689077
N-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 126475213
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 126472520) is 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc(OC)c1OC.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GOIACDLUOGCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-28-18-10-14(11-19(29-2)20(18)30-3)12-25-21-22-26-13-17(27(22)9-8-24-21)15-4-6-16(23)7-5-15/h4-11,13H,12H2,1-3H3,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]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 3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126472520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).