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

C24H21F2N5 — CID 135227342

IUPAC2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
SMILESCCc1nc2cnc(-c3ccc(F)c(C(C)C)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C24H21F2N5/c1-4-19-24(15-6-8-20-17(23(15)26)10-28-30-20)31-12-21(27-11-22(31)29-19)14-5-7-18(25)16(9-14)13(2)3/h5-13H,4H2,1-3H3,(H,28,30)
InChIKeyZRBZDGAFGGBUDP-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.90
Rot. Bonds4

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

2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 135227342) has the molecular formula C24H21F2N5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
PubChem CID135227342
Molecular FormulaC24H21F2N5
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Name2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
SMILESCCc1nc2cnc(-c3ccc(F)c(C(C)C)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C24H21F2N5/c1-4-19-24(15-6-8-20-17(23(15)26)10-28-30-20)31-12-21(27-11-22(31)29-19)14-5-7-18(25)16(9-14)13(2)3/h5-13H,4H2,1-3H3,(H,28,30)
InChIKeyZRBZDGAFGGBUDP-UHFFFAOYSA-N
XLogP5.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine (CID 135227342) is 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine is CCc1nc2cnc(-c3ccc(F)c(C(C)C)c3)cn2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is ZRBZDGAFGGBUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5/c1-4-19-24(15-6-8-20-17(23(15)26)10-28-30-20)31-12-21(27-11-22(31)29-19)14-5-7-18(25)16(9-14)13(2)3/h5-13H,4H2,1-3H3,(H,28,30).
What are the key properties of 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 417.46 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).