tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate

C24H32FN5O3 — CID 118230757

IUPACtert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
SMILESC[C@H](c1ccc(F)cc1)n1cncc1C1CN(C)C(=O)C2CN(C(=O)OC(C)(C)C)CCN21
InChIInChI=1S/C24H32FN5O3/c1-16(17-6-8-18(25)9-7-17)30-15-26-12-19(30)20-13-27(5)22(31)21-14-28(10-11-29(20)21)23(32)33-24(2,3)4/h6-9,12,15-16,20-21H,10-11,13-14H2,1-5H3/t16-,20?,21?/m1/s1
InChIKeyVZHVRGUMKZYVSA-YMTQGWHGSA-N
MW457.55 g/mol
LogP3.07
Rot. Bonds3

About tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate

tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate (PubChem CID 118230757) has the molecular formula C24H32FN5O3 and a molecular weight of 457.55 g/mol. Its IUPAC name is tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
PubChem CID118230757
Molecular FormulaC24H32FN5O3
Molecular Weight457.55 g/mol
Exact Mass457.25
IUPAC Nametert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
SMILESC[C@H](c1ccc(F)cc1)n1cncc1C1CN(C)C(=O)C2CN(C(=O)OC(C)(C)C)CCN21
InChIInChI=1S/C24H32FN5O3/c1-16(17-6-8-18(25)9-7-17)30-15-26-12-19(30)20-13-27(5)22(31)21-14-28(10-11-29(20)21)23(32)33-24(2,3)4/h6-9,12,15-16,20-21H,10-11,13-14H2,1-5H3/t16-,20?,21?/m1/s1
InChIKeyVZHVRGUMKZYVSA-YMTQGWHGSA-N
XLogP3.07
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 123664803
tert-butyl 4-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate;tert-butyl 4-[1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-hydroxyethyl]-3-(hydroxymethyl)piperazine-1-carboxylate
CID 159113943
tert-butyl 4-[1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethyl]piperazine-1-carboxylate
CID 123233975
tert-butyl 4-[1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-3-methoxypropyl]piperazine-1-carboxylate
CID 123915403
sodium;tert-butyl 4-[1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-3-hydroxypropyl]piperazine-1-carboxylate;tert-butyl 4-[1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-3-methoxypropyl]piperazine-1-carboxylate;hydride;iodomethane
CID 160946459
ditert-butyl 2-[(R)-(4-fluorophenyl)-hydroxymethyl]piperazine-1,4-dicarboxylate
CID 90100009
tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate
CID 114986197
tert-butyl 4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-isocyanomethyl]piperazine-1-carboxylate;methyl 2-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-piperazin-1-ylacetate
CID 159783880
tert-butyl 3-[1-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
CID 150651701
tert-butyl 4-[bis(4-fluorophenyl)methyl]-3-ethylpiperazine-1-carboxylate
CID 175111260
tert-butyl (3R)-4-[(1R)-1-(6-fluoro-3-pyridinyl)ethyl]-3-methylpiperazine-1-carboxylate
CID 141289495
tert-butyl 4-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 139510208

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate (CID 118230757) is tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate is C[C@H](c1ccc(F)cc1)n1cncc1C1CN(C)C(=O)C2CN(C(=O)OC(C)(C)C)CCN21.
What is the InChIKey of tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate?
The InChIKey is VZHVRGUMKZYVSA-YMTQGWHGSA-N. The full InChI is InChI=1S/C24H32FN5O3/c1-16(17-6-8-18(25)9-7-17)30-15-26-12-19(30)20-13-27(5)22(31)21-14-28(10-11-29(20)21)23(32)33-24(2,3)4/h6-9,12,15-16,20-21H,10-11,13-14H2,1-5H3/t16-,20?,21?/m1/s1.
What are the key properties of tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate?
tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate has a molecular weight of 457.55 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 118230757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).