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

C21H19N3O — CID 162647643

IUPAC4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C21H19N3O/c1-14(2)16-4-3-5-17(10-16)19-13-24-20(11-23-21(24)12-22-19)15-6-8-18(25)9-7-15/h3-14,25H,1-2H3
InChIKeySVQKNWHDSQKOIK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.89
Rot. Bonds3

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

4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 162647643) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID162647643
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C21H19N3O/c1-14(2)16-4-3-5-17(10-16)19-13-24-20(11-23-21(24)12-22-19)15-6-8-18(25)9-7-15/h3-14,25H,1-2H3
InChIKeySVQKNWHDSQKOIK-UHFFFAOYSA-N
XLogP4.89
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 162647643) is 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1.
What is the InChIKey of 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is SVQKNWHDSQKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14(2)16-4-3-5-17(10-16)19-13-24-20(11-23-21(24)12-22-19)15-6-8-18(25)9-7-15/h3-14,25H,1-2H3.
What are the key properties of 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 329.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 162647643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).