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

C26H23F2N5 — CID 135227348

IUPAC2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CCC4)nc3cn2)ccc1F
InChIInChI=1S/C26H23F2N5/c1-14(2)18-10-16(6-8-20(18)27)22-13-33-23(12-29-22)31-25(15-4-3-5-15)26(33)17-7-9-21-19(24(17)28)11-30-32-21/h6-15H,3-5H2,1-2H3,(H,30,32)
InChIKeyFFQPWVRLUPXYEI-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.61
Rot. Bonds4

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

2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 135227348) has the molecular formula C26H23F2N5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
PubChem CID135227348
Molecular FormulaC26H23F2N5
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CCC4)nc3cn2)ccc1F
InChIInChI=1S/C26H23F2N5/c1-14(2)18-10-16(6-8-20(18)27)22-13-33-23(12-29-22)31-25(15-4-3-5-15)26(33)17-7-9-21-19(24(17)28)11-30-32-21/h6-15H,3-5H2,1-2H3,(H,30,32)
InChIKeyFFQPWVRLUPXYEI-UHFFFAOYSA-N
XLogP6.61
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine (CID 135227348) is 2-cyclobutyl-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-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine is CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CCC4)nc3cn2)ccc1F.
What is the InChIKey of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is FFQPWVRLUPXYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5/c1-14(2)18-10-16(6-8-20(18)27)22-13-33-23(12-29-22)31-25(15-4-3-5-15)26(33)17-7-9-21-19(24(17)28)11-30-32-21/h6-15H,3-5H2,1-2H3,(H,30,32).
What are the key properties of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine?
2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 443.50 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).