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

C23H17F4N5 — CID 142401415

IUPAC3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C23H17F4N5/c1-12(2)21-22(15-6-7-17-16(20(15)24)9-29-31-17)32-11-18(28-10-19(32)30-21)13-4-3-5-14(8-13)23(25,26)27/h3-12H,1-2H3,(H,29,31)
InChIKeyYGMHUOWEHBNNDI-UHFFFAOYSA-N
MW439.42 g/mol
LogP6.22
Rot. Bonds3

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

3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 142401415) has the molecular formula C23H17F4N5 and a molecular weight of 439.42 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID142401415
Molecular FormulaC23H17F4N5
Molecular Weight439.42 g/mol
Exact Mass439.14
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C23H17F4N5/c1-12(2)21-22(15-6-7-17-16(20(15)24)9-29-31-17)32-11-18(28-10-19(32)30-21)13-4-3-5-14(8-13)23(25,26)27/h3-12H,1-2H3,(H,29,31)
InChIKeyYGMHUOWEHBNNDI-UHFFFAOYSA-N
XLogP6.22
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.42
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 142401415) is 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is CC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is YGMHUOWEHBNNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5/c1-12(2)21-22(15-6-7-17-16(20(15)24)9-29-31-17)32-11-18(28-10-19(32)30-21)13-4-3-5-14(8-13)23(25,26)27/h3-12H,1-2H3,(H,29,31).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 439.42 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142401415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).