tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate

C22H25N5O3 — CID 53188849

IUPACtert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C22H25N5O3/c1-22(2,3)30-21(29)26-13-11-25(12-14-26)20(28)17-15-27-10-9-23-18(19(27)24-17)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3
InChIKeyJPSJXYGFOXCSML-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 53188849) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate
PubChem CID53188849
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Nametert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C22H25N5O3/c1-22(2,3)30-21(29)26-13-11-25(12-14-26)20(28)17-15-27-10-9-23-18(19(27)24-17)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3
InChIKeyJPSJXYGFOXCSML-UHFFFAOYSA-N
XLogP3.09
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
[8-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53188932
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10425966
tert-butyl 4-[2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carbonyl]piperazine-1-carboxylate
CID 142028865
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 54412110
tert-butyl 4-(4-iodopyridine-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 86633425
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
CID 170992060
bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine
CID 162029209

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate (CID 53188849) is tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is JPSJXYGFOXCSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2,3)30-21(29)26-13-11-25(12-14-26)20(28)17-15-27-10-9-23-18(19(27)24-17)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3.
What are the key properties of tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 53188849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).