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

C23H14F5N5 — CID 142401416

IUPAC2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)cc1C(F)(F)F
InChIInChI=1S/C23H14F5N5/c24-16-5-3-12(7-15(16)23(26,27)28)18-10-33-19(9-29-18)31-21(11-1-2-11)22(33)13-4-6-17-14(20(13)25)8-30-32-17/h3-11H,1-2H2,(H,30,32)
InChIKeyKGOAHCYKGRAJAY-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.11
Rot. Bonds3

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

2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 142401416) has the molecular formula C23H14F5N5 and a molecular weight of 455.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID142401416
Molecular FormulaC23H14F5N5
Molecular Weight455.39 g/mol
Exact Mass455.12
IUPAC Name2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)cc1C(F)(F)F
InChIInChI=1S/C23H14F5N5/c24-16-5-3-12(7-15(16)23(26,27)28)18-10-33-19(9-29-18)31-21(11-1-2-11)22(33)13-4-6-17-14(20(13)25)8-30-32-17/h3-11H,1-2H2,(H,30,32)
InChIKeyKGOAHCYKGRAJAY-UHFFFAOYSA-N
XLogP6.11
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 142401416) is 2-cyclopropyl-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-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-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(C4CC4)nc3cn2)cc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is KGOAHCYKGRAJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N5/c24-16-5-3-12(7-15(16)23(26,27)28)18-10-33-19(9-29-18)31-21(11-1-2-11)22(33)13-4-6-17-14(20(13)25)8-30-32-17/h3-11H,1-2H2,(H,30,32).
What are the key properties of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 455.39 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142401416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).