7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine

C98H130N25O14Pd- — CID 161275514

IUPAC7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine
SMILESCC(C)(C)OC(=O)N1CCn2cc(/C=C/c3ccncc3)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(C(O)Cc3ccncc3)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(C=O)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(CCc3ccncc3)nc2C1.CCOC(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2.Cc1ccncc1.Cc1cn2ccncc2n1.Nc1cnccn1.[CH3-].[Pd]
InChIInChI=1S/C18H24N4O3.C18H24N4O2.C18H22N4O2.C14H21N3O4.C12H17N3O3.C7H7N3.C6H7N.C4H5N3.CH3.Pd/c1-18(2,3)25-17(24)22-9-8-21-11-14(20-16(21)12-22)15(23)10-13-4-6-19-7-5-13;2*1-18(2,3)24-17(23)22-11-10-21-12-15(20-16(21)13-22)5-4-14-6-8-19-9-7-14;1-5-20-12(18)10-8-16-6-7-17(9-11(16)15-10)13(19)21-14(2,3)4;1-12(2,3)18-11(17)15-5-4-14-6-9(8-16)13-10(14)7-15;1-6-5-10-3-2-8-4-7(10)9-6;1-6-2-4-7-5-3-6;5-4-3-6-1-2-7-4;;/h4-7,11,15,23H,8-10,12H2,1-3H3;6-9,12H,4-5,10-11,13H2,1-3H3;4-9,12H,10-11,13H2,1-3H3;8H,5-7,9H2,1-4H3;6,8H,4-5,7H2,1-3H3;2-5H,1H3;2-5H,1H3;1-3H,(H2,5,7);1H3;/q;;;;;;;;-1;/b;;5-4+;;;;;;;
InChIKeyRIBOCWKOJRBNMF-JJVYHVBLSA-N
MW1988.70 g/mol
LogP14.51
Rot. Bonds11

About 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine

7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine (PubChem CID 161275514) has the molecular formula C98H130N25O14Pd- and a molecular weight of 1988.70 g/mol. Its IUPAC name is 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine.

Molecular Properties

Compound Name7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine
PubChem CID161275514
Molecular FormulaC98H130N25O14Pd-
Molecular Weight1988.70 g/mol
Exact Mass1986.93
IUPAC Name7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine
SMILESCC(C)(C)OC(=O)N1CCn2cc(/C=C/c3ccncc3)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(C(O)Cc3ccncc3)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(C=O)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(CCc3ccncc3)nc2C1.CCOC(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2.Cc1ccncc1.Cc1cn2ccncc2n1.Nc1cnccn1.[CH3-].[Pd]
InChIInChI=1S/C18H24N4O3.C18H24N4O2.C18H22N4O2.C14H21N3O4.C12H17N3O3.C7H7N3.C6H7N.C4H5N3.CH3.Pd/c1-18(2,3)25-17(24)22-9-8-21-11-14(20-16(21)12-22)15(23)10-13-4-6-19-7-5-13;2*1-18(2,3)24-17(23)22-11-10-21-12-15(20-16(21)13-22)5-4-14-6-8-19-9-7-14;1-5-20-12(18)10-8-16-6-7-17(9-11(16)15-10)13(19)21-14(2,3)4;1-12(2,3)18-11(17)15-5-4-14-6-9(8-16)13-10(14)7-15;1-6-5-10-3-2-8-4-7(10)9-6;1-6-2-4-7-5-3-6;5-4-3-6-1-2-7-4;;/h4-7,11,15,23H,8-10,12H2,1-3H3;6-9,12H,4-5,10-11,13H2,1-3H3;4-9,12H,10-11,13H2,1-3H3;8H,5-7,9H2,1-4H3;6,8H,4-5,7H2,1-3H3;2-5H,1H3;2-5H,1H3;1-3H,(H2,5,7);1H3;/q;;;;;;;;-1;/b;;5-4+;;;;;;;
InChIKeyRIBOCWKOJRBNMF-JJVYHVBLSA-N
XLogP14.51
TPSA433.95 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.70
LogP ≤ 514.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine?
The IUPAC name of 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine (CID 161275514) is 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine.
What is the SMILES notation for 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine?
The canonical SMILES for 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine is CC(C)(C)OC(=O)N1CCn2cc(/C=C/c3ccncc3)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(C(O)Cc3ccncc3)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(C=O)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(CCc3ccncc3)nc2C1.CCOC(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2.Cc1ccncc1.Cc1cn2ccncc2n1.Nc1cnccn1.[CH3-].[Pd].
What is the InChIKey of 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine?
The InChIKey is RIBOCWKOJRBNMF-JJVYHVBLSA-N. The full InChI is InChI=1S/C18H24N4O3.C18H24N4O2.C18H22N4O2.C14H21N3O4.C12H17N3O3.C7H7N3.C6H7N.C4H5N3.CH3.Pd/c1-18(2,3)25-17(24)22-9-8-21-11-14(20-16(21)12-22)15(23)10-13-4-6-19-7-5-13;2*1-18(2,3)24-17(23)22-11-10-21-12-15(20-16(21)13-22)5-4-14-6-8-19-9-7-14;1-5-20-12(18)10-8-16-6-7-17(9-11(16)15-10)13(19)21-14(2,3)4;1-12(2,3)18-11(17)15-5-4-14-6-9(8-16)13-10(14)7-15;1-6-5-10-3-2-8-4-7(10)9-6;1-6-2-4-7-5-3-6;5-4-3-6-1-2-7-4;;/h4-7,11,15,23H,8-10,12H2,1-3H3;6-9,12H,4-5,10-11,13H2,1-3H3;4-9,12H,10-11,13H2,1-3H3;8H,5-7,9H2,1-4H3;6,8H,4-5,7H2,1-3H3;2-5H,1H3;2-5H,1H3;1-3H,(H2,5,7);1H3;/q;;;;;;;;-1;/b;;5-4+;;;;;;;.
What are the key properties of 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine?
7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine has a molecular weight of 1988.70 g/mol, XLogP of 14.51, 11 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-O-tert-butyl 2-O-ethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate;tert-butyl 2-formyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-[(E)-2-pyridin-4-ylethenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;carbanide;2-methylimidazo[1,2-a]pyrazine;4-methylpyridine;palladium;pyrazin-2-amine is sourced from PubChem (CID 161275514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).