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

C23H12F5N5O — CID 135227351

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC#CCOc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H12F5N5O/c1-2-7-34-18-8-12(3-5-15(18)24)17-11-33-19(10-29-17)31-22(23(26,27)28)21(33)13-4-6-16-14(20(13)25)9-30-32-16/h1,3-6,8-11H,7H2,(H,30,32)
InChIKeyFMJTZUQRPJZGFI-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.25
Rot. Bonds4

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

3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227351) has the molecular formula C23H12F5N5O and a molecular weight of 469.37 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227351
Molecular FormulaC23H12F5N5O
Molecular Weight469.37 g/mol
Exact Mass469.10
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC#CCOc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H12F5N5O/c1-2-7-34-18-8-12(3-5-15(18)24)17-11-33-19(10-29-17)31-22(23(26,27)28)21(33)13-4-6-16-14(20(13)25)9-30-32-16/h1,3-6,8-11H,7H2,(H,30,32)
InChIKeyFMJTZUQRPJZGFI-UHFFFAOYSA-N
XLogP5.25
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227351) is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is C#CCOc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is FMJTZUQRPJZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F5N5O/c1-2-7-34-18-8-12(3-5-15(18)24)17-11-33-19(10-29-17)31-22(23(26,27)28)21(33)13-4-6-16-14(20(13)25)9-30-32-16/h1,3-6,8-11H,7H2,(H,30,32).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 469.37 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).