[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone

C30H25ClFN5O — CID 121309716

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C30H25ClFN5O/c31-24-10-6-22(7-11-24)29-27(37-19-26(33-18-28(37)34-29)21-4-2-1-3-5-21)20-35-14-16-36(17-15-35)30(38)23-8-12-25(32)13-9-23/h1-13,18-19H,14-17,20H2
InChIKeyGBHLHOAGOMRUCT-UHFFFAOYSA-N
MW526.02 g/mol
LogP5.81
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 121309716) has the molecular formula C30H25ClFN5O and a molecular weight of 526.02 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID121309716
Molecular FormulaC30H25ClFN5O
Molecular Weight526.02 g/mol
Exact Mass525.17
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C30H25ClFN5O/c31-24-10-6-22(7-11-24)29-27(37-19-26(33-18-28(37)34-29)21-4-2-1-3-5-21)20-35-14-16-36(17-15-35)30(38)23-8-12-25(32)13-9-23/h1-13,18-19H,14-17,20H2
InChIKeyGBHLHOAGOMRUCT-UHFFFAOYSA-N
XLogP5.81
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.02
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 121309716) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is GBHLHOAGOMRUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN5O/c31-24-10-6-22(7-11-24)29-27(37-19-26(33-18-28(37)34-29)21-4-2-1-3-5-21)20-35-14-16-36(17-15-35)30(38)23-8-12-25(32)13-9-23/h1-13,18-19H,14-17,20H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 526.02 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 121309716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).