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

C25H23F2N5 — CID 135227347

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)C)nc3cn2)ccc1F
InChIInChI=1S/C25H23F2N5/c1-13(2)17-9-15(5-7-19(17)26)21-12-32-22(11-28-21)30-24(14(3)4)25(32)16-6-8-20-18(23(16)27)10-29-31-20/h5-14H,1-4H3,(H,29,31)
InChIKeyXGYPQHLGBHDJBR-UHFFFAOYSA-N
MW431.49 g/mol
LogP6.46
Rot. Bonds4

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

3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine (PubChem CID 135227347) has the molecular formula C25H23F2N5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine
PubChem CID135227347
Molecular FormulaC25H23F2N5
Molecular Weight431.49 g/mol
Exact Mass431.19
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)C)nc3cn2)ccc1F
InChIInChI=1S/C25H23F2N5/c1-13(2)17-9-15(5-7-19(17)26)21-12-32-22(11-28-21)30-24(14(3)4)25(32)16-6-8-20-18(23(16)27)10-29-31-20/h5-14H,1-4H3,(H,29,31)
InChIKeyXGYPQHLGBHDJBR-UHFFFAOYSA-N
XLogP6.46
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine (CID 135227347) is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine is CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)C)nc3cn2)ccc1F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is XGYPQHLGBHDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5/c1-13(2)17-9-15(5-7-19(17)26)21-12-32-22(11-28-21)30-24(14(3)4)25(32)16-6-8-20-18(23(16)27)10-29-31-20/h5-14H,1-4H3,(H,29,31).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 431.49 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-propan-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).