3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine

C25H23N5O — CID 162646728

IUPAC3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cccc(-c2cn3c(-c4cnn(Cc5ccccc5)c4)cnc3cn2)c1
InChIInChI=1S/C25H23N5O/c1-18(2)31-22-10-6-9-20(11-22)23-17-30-24(13-27-25(30)14-26-23)21-12-28-29(16-21)15-19-7-4-3-5-8-19/h3-14,16-18H,15H2,1-2H3
InChIKeyPWMMPZIXDBJFME-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.10
Rot. Bonds6

About 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine

3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 162646728) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID162646728
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cccc(-c2cn3c(-c4cnn(Cc5ccccc5)c4)cnc3cn2)c1
InChIInChI=1S/C25H23N5O/c1-18(2)31-22-10-6-9-20(11-22)23-17-30-24(13-27-25(30)14-26-23)21-12-28-29(16-21)15-19-7-4-3-5-8-19/h3-14,16-18H,15H2,1-2H3
InChIKeyPWMMPZIXDBJFME-UHFFFAOYSA-N
XLogP5.10
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine (CID 162646728) is 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine is CC(C)Oc1cccc(-c2cn3c(-c4cnn(Cc5ccccc5)c4)cnc3cn2)c1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is PWMMPZIXDBJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-18(2)31-22-10-6-9-20(11-22)23-17-30-24(13-27-25(30)14-26-23)21-12-28-29(16-21)15-19-7-4-3-5-8-19/h3-14,16-18H,15H2,1-2H3.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 409.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 162646728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).