4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C23H19FN6O — CID 122655975

IUPAC4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESFc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C23H19FN6O/c24-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-26-28-19)30-8-7-25-22(23(30)27-20)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,26,28)
InChIKeyCJGBAZTVYBREGN-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.92
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 122655975) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID122655975
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESFc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C23H19FN6O/c24-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-26-28-19)30-8-7-25-22(23(30)27-20)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,26,28)
InChIKeyCJGBAZTVYBREGN-UHFFFAOYSA-N
XLogP3.92
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 122655975) is 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is Fc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is CJGBAZTVYBREGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c24-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-26-28-19)30-8-7-25-22(23(30)27-20)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,26,28).
What are the key properties of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 414.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 122655975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).