2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C28H33F3N6O2 — CID 135194047

IUPAC2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCCc1nc2n(c1C(=O)NCc1ccc(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc1)CCN(C)C2
InChIInChI=1S/C28H33F3N6O2/c1-3-24-26(37-17-12-34(2)19-25(37)33-24)27(38)32-18-20-4-6-21(7-5-20)35-13-15-36(16-14-35)22-8-10-23(11-9-22)39-28(29,30)31/h4-11H,3,12-19H2,1-2H3,(H,32,38)
InChIKeyQKIXCDGSTPHFBR-UHFFFAOYSA-N
MW542.61 g/mol
LogP4.05
Rot. Bonds7

About 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 135194047) has the molecular formula C28H33F3N6O2 and a molecular weight of 542.61 g/mol. Its IUPAC name is 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID135194047
Molecular FormulaC28H33F3N6O2
Molecular Weight542.61 g/mol
Exact Mass542.26
IUPAC Name2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCCc1nc2n(c1C(=O)NCc1ccc(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc1)CCN(C)C2
InChIInChI=1S/C28H33F3N6O2/c1-3-24-26(37-17-12-34(2)19-25(37)33-24)27(38)32-18-20-4-6-21(7-5-20)35-13-15-36(16-14-35)22-8-10-23(11-9-22)39-28(29,30)31/h4-11H,3,12-19H2,1-2H3,(H,32,38)
InChIKeyQKIXCDGSTPHFBR-UHFFFAOYSA-N
XLogP4.05
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.61
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 664288
7-benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 665006
8-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
CID 1091990
8-[[4-(4-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
CID 3164093
N-[4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 45277178
N-[4-[7-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 52920522
methyl N-[4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]carbamate
CID 52920523
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53467345
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54577665

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 135194047) is 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CCc1nc2n(c1C(=O)NCc1ccc(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc1)CCN(C)C2.
What is the InChIKey of 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is QKIXCDGSTPHFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O2/c1-3-24-26(37-17-12-34(2)19-25(37)33-24)27(38)32-18-20-4-6-21(7-5-20)35-13-15-36(16-14-35)22-8-10-23(11-9-22)39-28(29,30)31/h4-11H,3,12-19H2,1-2H3,(H,32,38).
What are the key properties of 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 542.61 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 135194047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).