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

C25H22FN7O — CID 122656099

IUPAC1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc5[nH]ncc5c4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H22FN7O/c1-16(34)31-10-12-32(13-11-31)24-25-29-22(17-2-5-20(26)6-3-17)23(33(25)9-8-27-24)18-4-7-21-19(14-18)15-28-30-21/h2-9,14-15H,10-13H2,1H3,(H,28,30)
InChIKeyYODZKYDOJLDGMV-UHFFFAOYSA-N
MW455.50 g/mol
LogP3.75
Rot. Bonds3

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

1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (PubChem CID 122656099) has the molecular formula C25H22FN7O and a molecular weight of 455.50 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
PubChem CID122656099
Molecular FormulaC25H22FN7O
Molecular Weight455.50 g/mol
Exact Mass455.19
IUPAC Name1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc5[nH]ncc5c4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H22FN7O/c1-16(34)31-10-12-32(13-11-31)24-25-29-22(17-2-5-20(26)6-3-17)23(33(25)9-8-27-24)18-4-7-21-19(14-18)15-28-30-21/h2-9,14-15H,10-13H2,1H3,(H,28,30)
InChIKeyYODZKYDOJLDGMV-UHFFFAOYSA-N
XLogP3.75
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (CID 122656099) is 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccn3c(-c4ccc5[nH]ncc5c4)c(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is YODZKYDOJLDGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O/c1-16(34)31-10-12-32(13-11-31)24-25-29-22(17-2-5-20(26)6-3-17)23(33(25)9-8-27-24)18-4-7-21-19(14-18)15-28-30-21/h2-9,14-15H,10-13H2,1H3,(H,28,30).
What are the key properties of 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 455.50 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122656099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).