3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile

C17H19N7O2 — CID 67424911

IUPAC3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile
SMILESCOCCn1cc(-c2c(C#N)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C17H19N7O2/c1-25-7-6-23-12-13(11-20-23)15-14(10-18)21-17-16(19-2-3-24(15)17)22-4-8-26-9-5-22/h2-3,11-12H,4-9H2,1H3
InChIKeyIJGYQMOIFMTHDI-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.95
Rot. Bonds5

About 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile

3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile (PubChem CID 67424911) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile
PubChem CID67424911
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile
SMILESCOCCn1cc(-c2c(C#N)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C17H19N7O2/c1-25-7-6-23-12-13(11-20-23)15-14(10-18)21-17-16(19-2-3-24(15)17)22-4-8-26-9-5-22/h2-3,11-12H,4-9H2,1H3
InChIKeyIJGYQMOIFMTHDI-UHFFFAOYSA-N
XLogP0.95
TPSA93.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile (CID 67424911) is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile is COCCn1cc(-c2c(C#N)nc3c(N4CCOCC4)nccn23)cn1.
What is the InChIKey of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile?
The InChIKey is IJGYQMOIFMTHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-25-7-6-23-12-13(11-20-23)15-14(10-18)21-17-16(19-2-3-24(15)17)22-4-8-26-9-5-22/h2-3,11-12H,4-9H2,1H3.
What are the key properties of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile?
3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile has a molecular weight of 353.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 67424911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).