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

C24H16F5N5 — CID 135222801

IUPAC6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C1CCC1
InChIInChI=1S/C24H16F5N5/c25-17-6-4-13(8-15(17)12-2-1-3-12)19-11-34-20(10-30-19)32-23(24(27,28)29)22(34)14-5-7-18-16(21(14)26)9-31-33-18/h4-12H,1-3H2,(H,31,33)
InChIKeyOEAFLRHFHCAOBD-UHFFFAOYSA-N
MW469.42 g/mol
LogP6.50
Rot. Bonds3

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

6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135222801) has the molecular formula C24H16F5N5 and a molecular weight of 469.42 g/mol. Its IUPAC name is 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135222801
Molecular FormulaC24H16F5N5
Molecular Weight469.42 g/mol
Exact Mass469.13
IUPAC Name6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C1CCC1
InChIInChI=1S/C24H16F5N5/c25-17-6-4-13(8-15(17)12-2-1-3-12)19-11-34-20(10-30-19)32-23(24(27,28)29)22(34)14-5-7-18-16(21(14)26)9-31-33-18/h4-12H,1-3H2,(H,31,33)
InChIKeyOEAFLRHFHCAOBD-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 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135222801) is 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C1CCC1.
What is the InChIKey of 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is OEAFLRHFHCAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N5/c25-17-6-4-13(8-15(17)12-2-1-3-12)19-11-34-20(10-30-19)32-23(24(27,28)29)22(34)14-5-7-18-16(21(14)26)9-31-33-18/h4-12H,1-3H2,(H,31,33).
What are the key properties of 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)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 6-(3-cyclobutyl-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135222801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).