6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine

C18H17N5O — CID 155563077

IUPAC6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
SMILESCCOc1cccc(-c2cn3c(-c4cnn(C)c4)cnc3cn2)c1
InChIInChI=1S/C18H17N5O/c1-3-24-15-6-4-5-13(7-15)16-12-23-17(9-20-18(23)10-19-16)14-8-21-22(2)11-14/h4-12H,3H2,1-2H3
InChIKeyLRSHVJFTTYAODO-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.20
Rot. Bonds4

About 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine

6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 155563077) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
PubChem CID155563077
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
SMILESCCOc1cccc(-c2cn3c(-c4cnn(C)c4)cnc3cn2)c1
InChIInChI=1S/C18H17N5O/c1-3-24-15-6-4-5-13(7-15)16-12-23-17(9-20-18(23)10-19-16)14-8-21-22(2)11-14/h4-12H,3H2,1-2H3
InChIKeyLRSHVJFTTYAODO-UHFFFAOYSA-N
XLogP3.20
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine (CID 155563077) is 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine is CCOc1cccc(-c2cn3c(-c4cnn(C)c4)cnc3cn2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is LRSHVJFTTYAODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-24-15-6-4-5-13(7-15)16-12-23-17(9-20-18(23)10-19-16)14-8-21-22(2)11-14/h4-12H,3H2,1-2H3.
What are the key properties of 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 319.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155563077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).