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

C24H16F5N5 — CID 135222821

IUPAC2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CCC4)nc3cn2)cc1C(F)(F)F
InChIInChI=1S/C24H16F5N5/c25-17-6-4-13(8-16(17)24(27,28)29)19-11-34-20(10-30-19)32-22(12-2-1-3-12)23(34)14-5-7-18-15(21(14)26)9-31-33-18/h4-12H,1-3H2,(H,31,33)
InChIKeyKZLFZFHNUKICAW-UHFFFAOYSA-N
MW469.42 g/mol
LogP6.50
Rot. Bonds3

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

2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 135222821) has the molecular formula C24H16F5N5 and a molecular weight of 469.42 g/mol. Its IUPAC name is 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID135222821
Molecular FormulaC24H16F5N5
Molecular Weight469.42 g/mol
Exact Mass469.13
IUPAC Name2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CCC4)nc3cn2)cc1C(F)(F)F
InChIInChI=1S/C24H16F5N5/c25-17-6-4-13(8-16(17)24(27,28)29)19-11-34-20(10-30-19)32-22(12-2-1-3-12)23(34)14-5-7-18-15(21(14)26)9-31-33-18/h4-12H,1-3H2,(H,31,33)
InChIKeyKZLFZFHNUKICAW-UHFFFAOYSA-N
XLogP6.50
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 56.50
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-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 135222821) is 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CCC4)nc3cn2)cc1C(F)(F)F.
What is the InChIKey of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is KZLFZFHNUKICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N5/c25-17-6-4-13(8-16(17)24(27,28)29)19-11-34-20(10-30-19)32-22(12-2-1-3-12)23(34)14-5-7-18-15(21(14)26)9-31-33-18/h4-12H,1-3H2,(H,31,33).
What are the key properties of 2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
2-cyclobutyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 469.42 g/mol, XLogP of 6.50, 3 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-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135222821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).