formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine

C20H21N5O5 — CID 155940525

IUPACformic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine
SMILESCOc1cc(-c2nccn2Cc2cnc3cnccn23)cc(OC)c1OC.O=CO
InChIInChI=1S/C19H19N5O3.CH2O2/c1-25-15-8-13(9-16(26-2)18(15)27-3)19-21-5-6-23(19)12-14-10-22-17-11-20-4-7-24(14)17;2-1-3/h4-11H,12H2,1-3H3;1H,(H,2,3)
InChIKeyMWMKNGDKOURYPL-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.37
Rot. Bonds6

About formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine

formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine (PubChem CID 155940525) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Nameformic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine
PubChem CID155940525
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Nameformic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine
SMILESCOc1cc(-c2nccn2Cc2cnc3cnccn23)cc(OC)c1OC.O=CO
InChIInChI=1S/C19H19N5O3.CH2O2/c1-25-15-8-13(9-16(26-2)18(15)27-3)19-21-5-6-23(19)12-14-10-22-17-11-20-4-7-24(14)17;2-1-3/h4-11H,12H2,1-3H3;1H,(H,2,3)
InChIKeyMWMKNGDKOURYPL-UHFFFAOYSA-N
XLogP2.37
TPSA113.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine?
The IUPAC name of formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine (CID 155940525) is formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine is COc1cc(-c2nccn2Cc2cnc3cnccn23)cc(OC)c1OC.O=CO.
What is the InChIKey of formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine?
The InChIKey is MWMKNGDKOURYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3.CH2O2/c1-25-15-8-13(9-16(26-2)18(15)27-3)19-21-5-6-23(19)12-14-10-22-17-11-20-4-7-24(14)17;2-1-3/h4-11H,12H2,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine?
formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine has a molecular weight of 411.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[[2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155940525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).