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

C22H21N3O2 — CID 162657063

IUPAC2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(-c2cnc3cnc(-c4cccc(C(C)C)c4)cn23)ccc1O
InChIInChI=1S/C22H21N3O2/c1-14(2)15-5-4-6-16(9-15)18-13-25-19(11-24-22(25)12-23-18)17-7-8-20(26)21(10-17)27-3/h4-14,26H,1-3H3
InChIKeyPXGRJHURVHZEJJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds4

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

2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 162657063) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID162657063
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(-c2cnc3cnc(-c4cccc(C(C)C)c4)cn23)ccc1O
InChIInChI=1S/C22H21N3O2/c1-14(2)15-5-4-6-16(9-15)18-13-25-19(11-24-22(25)12-23-18)17-7-8-20(26)21(10-17)27-3/h4-14,26H,1-3H3
InChIKeyPXGRJHURVHZEJJ-UHFFFAOYSA-N
XLogP4.90
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 162657063) is 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is COc1cc(-c2cnc3cnc(-c4cccc(C(C)C)c4)cn23)ccc1O.
What is the InChIKey of 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is PXGRJHURVHZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14(2)15-5-4-6-16(9-15)18-13-25-19(11-24-22(25)12-23-18)17-7-8-20(26)21(10-17)27-3/h4-14,26H,1-3H3.
What are the key properties of 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol?
2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 359.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 162657063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).