4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

C22H17N5O — CID 137120103

IUPAC4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1
InChIInChI=1S/C22H17N5O/c28-19-8-6-17(7-9-19)21-11-24-22-12-23-20(15-27(21)22)18-10-25-26(14-18)13-16-4-2-1-3-5-16/h1-12,14-15,28H,13H2
InChIKeyQGNJUGZSDATIJE-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.01
Rot. Bonds4

About 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137120103) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137120103
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1
InChIInChI=1S/C22H17N5O/c28-19-8-6-17(7-9-19)21-11-24-22-12-23-20(15-27(21)22)18-10-25-26(14-18)13-16-4-2-1-3-5-16/h1-12,14-15,28H,13H2
InChIKeyQGNJUGZSDATIJE-UHFFFAOYSA-N
XLogP4.01
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137120103) is 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1.
What is the InChIKey of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is QGNJUGZSDATIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-19-8-6-17(7-9-19)21-11-24-22-12-23-20(15-27(21)22)18-10-25-26(14-18)13-16-4-2-1-3-5-16/h1-12,14-15,28H,13H2.
What are the key properties of 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 367.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-benzylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137120103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).