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

C23H18FN7O — CID 122655877

IUPAC4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
SMILESO=C1CN(c2nccn3c(-c4ccc5[nH]ncc5c4)c(-c4ccc(F)cc4)nc23)CCN1
InChIInChI=1S/C23H18FN7O/c24-17-4-1-14(2-5-17)20-21(15-3-6-18-16(11-15)12-27-29-18)31-10-8-26-22(23(31)28-20)30-9-7-25-19(32)13-30/h1-6,8,10-12H,7,9,13H2,(H,25,32)(H,27,29)
InChIKeyPLTLVSBSCNJDIU-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.01
Rot. Bonds3

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

4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one (PubChem CID 122655877) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
PubChem CID122655877
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
SMILESO=C1CN(c2nccn3c(-c4ccc5[nH]ncc5c4)c(-c4ccc(F)cc4)nc23)CCN1
InChIInChI=1S/C23H18FN7O/c24-17-4-1-14(2-5-17)20-21(15-3-6-18-16(11-15)12-27-29-18)31-10-8-26-22(23(31)28-20)30-9-7-25-19(32)13-30/h1-6,8,10-12H,7,9,13H2,(H,25,32)(H,27,29)
InChIKeyPLTLVSBSCNJDIU-UHFFFAOYSA-N
XLogP3.01
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
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]piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one (CID 122655877) is 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one is O=C1CN(c2nccn3c(-c4ccc5[nH]ncc5c4)c(-c4ccc(F)cc4)nc23)CCN1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
The InChIKey is PLTLVSBSCNJDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c24-17-4-1-14(2-5-17)20-21(15-3-6-18-16(11-15)12-27-29-18)31-10-8-26-22(23(31)28-20)30-9-7-25-19(32)13-30/h1-6,8,10-12H,7,9,13H2,(H,25,32)(H,27,29).
What are the key properties of 4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
4-[2-(4-fluorophenyl)-3-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one has a molecular weight of 427.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 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]piperazin-2-one is sourced from PubChem (CID 122655877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).