1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

C20H22N4O2 — CID 163317173

IUPAC1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cccc2c1C1(CCN(c3cncc4nccn34)CC1)OCC2
InChIInChI=1S/C20H22N4O2/c1-25-16-4-2-3-15-5-12-26-20(19(15)16)6-9-23(10-7-20)18-14-21-13-17-22-8-11-24(17)18/h2-4,8,11,13-14H,5-7,9-10,12H2,1H3
InChIKeyZISKZLXFSPUAFV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.81
Rot. Bonds2

About 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 163317173) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID163317173
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cccc2c1C1(CCN(c3cncc4nccn34)CC1)OCC2
InChIInChI=1S/C20H22N4O2/c1-25-16-4-2-3-15-5-12-26-20(19(15)16)6-9-23(10-7-20)18-14-21-13-17-22-8-11-24(17)18/h2-4,8,11,13-14H,5-7,9-10,12H2,1H3
InChIKeyZISKZLXFSPUAFV-UHFFFAOYSA-N
XLogP2.81
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 163317173) is 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1cccc2c1C1(CCN(c3cncc4nccn34)CC1)OCC2.
What is the InChIKey of 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is ZISKZLXFSPUAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-16-4-2-3-15-5-12-26-20(19(15)16)6-9-23(10-7-20)18-14-21-13-17-22-8-11-24(17)18/h2-4,8,11,13-14H,5-7,9-10,12H2,1H3.
What are the key properties of 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 350.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-imidazo[1,2-a]pyrazin-5-yl-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 163317173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).