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

C23H17F4N5O — CID 135227299

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)c1
InChIInChI=1S/C23H17F4N5O/c1-12(2)33-14-5-3-4-13(8-14)18-11-32-19(10-28-18)30-22(23(25,26)27)21(32)15-6-7-17-16(20(15)24)9-29-31-17/h3-12H,1-2H3,(H,29,31)
InChIKeyIHPXRVDFQSWCQV-UHFFFAOYSA-N
MW455.42 g/mol
LogP5.88
Rot. Bonds4

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

3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227299) has the molecular formula C23H17F4N5O and a molecular weight of 455.42 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227299
Molecular FormulaC23H17F4N5O
Molecular Weight455.42 g/mol
Exact Mass455.14
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)c1
InChIInChI=1S/C23H17F4N5O/c1-12(2)33-14-5-3-4-13(8-14)18-11-32-19(10-28-18)30-22(23(25,26)27)21(32)15-6-7-17-16(20(15)24)9-29-31-17/h3-12H,1-2H3,(H,29,31)
InChIKeyIHPXRVDFQSWCQV-UHFFFAOYSA-N
XLogP5.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.42
LogP ≤ 55.88
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)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227299) is 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC(C)Oc1cccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)c1.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is IHPXRVDFQSWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O/c1-12(2)33-14-5-3-4-13(8-14)18-11-32-19(10-28-18)30-22(23(25,26)27)21(32)15-6-7-17-16(20(15)24)9-29-31-17/h3-12H,1-2H3,(H,29,31).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 455.42 g/mol, XLogP of 5.88, 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-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).