6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine

C22H17BrFN5 — CID 135223481

IUPAC6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine
SMILESCC(C)c1nc2cnc(-c3cccc(Br)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C22H17BrFN5/c1-12(2)21-22(15-6-7-17-16(20(15)24)9-26-28-17)29-11-18(25-10-19(29)27-21)13-4-3-5-14(23)8-13/h3-12H,1-2H3,(H,26,28)
InChIKeyOYUAZHJGQLVPBC-UHFFFAOYSA-N
MW450.32 g/mol
LogP5.96
Rot. Bonds3

About 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine

6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine (PubChem CID 135223481) has the molecular formula C22H17BrFN5 and a molecular weight of 450.32 g/mol. Its IUPAC name is 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine
PubChem CID135223481
Molecular FormulaC22H17BrFN5
Molecular Weight450.32 g/mol
Exact Mass449.07
IUPAC Name6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine
SMILESCC(C)c1nc2cnc(-c3cccc(Br)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C22H17BrFN5/c1-12(2)21-22(15-6-7-17-16(20(15)24)9-26-28-17)29-11-18(25-10-19(29)27-21)13-4-3-5-14(23)8-13/h3-12H,1-2H3,(H,26,28)
InChIKeyOYUAZHJGQLVPBC-UHFFFAOYSA-N
XLogP5.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.32
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine (CID 135223481) is 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine is CC(C)c1nc2cnc(-c3cccc(Br)c3)cn2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is OYUAZHJGQLVPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN5/c1-12(2)21-22(15-6-7-17-16(20(15)24)9-26-28-17)29-11-18(25-10-19(29)27-21)13-4-3-5-14(23)8-13/h3-12H,1-2H3,(H,26,28).
What are the key properties of 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 450.32 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 135223481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).