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

C20H9F7N6 — CID 135227353

IUPAC3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine
SMILESFc1c(-c2c(C(F)(F)F)nc3cnc(-c4ccnc(C(F)(F)F)c4)cn23)ccc2[nH]ncc12
InChIInChI=1S/C20H9F7N6/c21-16-10(1-2-12-11(16)6-30-32-12)17-18(20(25,26)27)31-15-7-29-13(8-33(15)17)9-3-4-28-14(5-9)19(22,23)24/h1-8H,(H,30,32)
InChIKeyOZIOYHVIFLHGDX-UHFFFAOYSA-N
MW466.32 g/mol
LogP5.51
Rot. Bonds2

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

3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine (PubChem CID 135227353) has the molecular formula C20H9F7N6 and a molecular weight of 466.32 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine
PubChem CID135227353
Molecular FormulaC20H9F7N6
Molecular Weight466.32 g/mol
Exact Mass466.08
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine
SMILESFc1c(-c2c(C(F)(F)F)nc3cnc(-c4ccnc(C(F)(F)F)c4)cn23)ccc2[nH]ncc12
InChIInChI=1S/C20H9F7N6/c21-16-10(1-2-12-11(16)6-30-32-12)17-18(20(25,26)27)31-15-7-29-13(8-33(15)17)9-3-4-28-14(5-9)19(22,23)24/h1-8H,(H,30,32)
InChIKeyOZIOYHVIFLHGDX-UHFFFAOYSA-N
XLogP5.51
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine (CID 135227353) is 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine is Fc1c(-c2c(C(F)(F)F)nc3cnc(-c4ccnc(C(F)(F)F)c4)cn23)ccc2[nH]ncc12.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine?
The InChIKey is OZIOYHVIFLHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F7N6/c21-16-10(1-2-12-11(16)6-30-32-12)17-18(20(25,26)27)31-15-7-29-13(8-33(15)17)9-3-4-28-14(5-9)19(22,23)24/h1-8H,(H,30,32).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine has a molecular weight of 466.32 g/mol, XLogP of 5.51, 2 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)-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).