4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol

C21H20N4O3 — CID 143766220

IUPAC4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
SMILESCO.O=Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1
InChIInChI=1S/C20H16N4O2.CH4O/c25-13-15-3-1-14(2-4-15)11-22-19-20-23-12-18(24(20)10-9-21-19)16-5-7-17(26)8-6-16;1-2/h1-10,12-13,26H,11H2,(H,21,22);2H,1H3
InChIKeyBOKLBVXKRXDAHU-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.13
Rot. Bonds5

About 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol

4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol (PubChem CID 143766220) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol.

Molecular Properties

Compound Name4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
PubChem CID143766220
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
SMILESCO.O=Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1
InChIInChI=1S/C20H16N4O2.CH4O/c25-13-15-3-1-14(2-4-15)11-22-19-20-23-12-18(24(20)10-9-21-19)16-5-7-17(26)8-6-16;1-2/h1-10,12-13,26H,11H2,(H,21,22);2H,1H3
InChIKeyBOKLBVXKRXDAHU-UHFFFAOYSA-N
XLogP3.13
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
CID 135998296
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
N-[(4-fluorophenyl)methyl]-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126475158
3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
4-[[[3-[5-(hydroxymethyl)furan-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 160694520
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113245585
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
CID 126472154
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol?
The IUPAC name of 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol (CID 143766220) is 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol.
What is the SMILES notation for 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol?
The canonical SMILES for 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol is CO.O=Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol?
The InChIKey is BOKLBVXKRXDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2.CH4O/c25-13-15-3-1-14(2-4-15)11-22-19-20-23-12-18(24(20)10-9-21-19)16-5-7-17(26)8-6-16;1-2/h1-10,12-13,26H,11H2,(H,21,22);2H,1H3.
What are the key properties of 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol?
4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol has a molecular weight of 376.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol is sourced from PubChem (CID 143766220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).