3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)

C122H125BBrCl2N9O7P2Pd — CID 159276408

IUPAC3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)
SMILESCCOC(OCC)C(=O)Cc1ccc(C)cc1.CCc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1.CCc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cl[Pd]Cl.Nc1ncc(Br)nc1Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25N3O2.C19H19N3.2C18H15P.C14H21BO2.C14H20O3.C11H10BrN3.2ClH.Pd/c1-2-19-8-12-22(13-9-19)26-18-31-27(24(29-26)16-20-6-4-3-5-7-20)30-25(28(31)33)17-21-10-14-23(32)15-11-21;1-2-14-8-10-16(11-9-14)18-13-21-19(20)17(22-18)12-15-6-4-3-5-7-15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15;1-4-16-14(17-5-2)13(15)10-12-8-6-11(3)7-9-12;12-10-7-14-11(13)9(15-10)6-8-4-2-1-3-5-8;;;/h3-15,18,32-33H,2,16-17H2,1H3;3-11,13H,2,12H2,1H3,(H2,20,21);2*1-15H;7-10H,6H2,1-5H3;6-9,14H,4-5,10H2,1-3H3;1-5,7H,6H2,(H2,13,14);2*1H;/q;;;;;;;;;+2/p-2
InChIKeyCCZLKJJQHLIJKE-UHFFFAOYSA-L
MW2159.39 g/mol
LogP25.16
Rot. Bonds27

About 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)

3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane) (PubChem CID 159276408) has the molecular formula C122H125BBrCl2N9O7P2Pd and a molecular weight of 2159.39 g/mol. Its IUPAC name is 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane).

Molecular Properties

Compound Name3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)
PubChem CID159276408
Molecular FormulaC122H125BBrCl2N9O7P2Pd
Molecular Weight2159.39 g/mol
Exact Mass2155.69
IUPAC Name3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)
SMILESCCOC(OCC)C(=O)Cc1ccc(C)cc1.CCc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1.CCc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cl[Pd]Cl.Nc1ncc(Br)nc1Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25N3O2.C19H19N3.2C18H15P.C14H21BO2.C14H20O3.C11H10BrN3.2ClH.Pd/c1-2-19-8-12-22(13-9-19)26-18-31-27(24(29-26)16-20-6-4-3-5-7-20)30-25(28(31)33)17-21-10-14-23(32)15-11-21;1-2-14-8-10-16(11-9-14)18-13-21-19(20)17(22-18)12-15-6-4-3-5-7-15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15;1-4-16-14(17-5-2)13(15)10-12-8-6-11(3)7-9-12;12-10-7-14-11(13)9(15-10)6-8-4-2-1-3-5-8;;;/h3-15,18,32-33H,2,16-17H2,1H3;3-11,13H,2,12H2,1H3,(H2,20,21);2*1-15H;7-10H,6H2,1-5H3;6-9,14H,4-5,10H2,1-3H3;1-5,7H,6H2,(H2,13,14);2*1H;/q;;;;;;;;;+2/p-2
InChIKeyCCZLKJJQHLIJKE-UHFFFAOYSA-L
XLogP25.16
TPSA228.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002159.39
LogP ≤ 525.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 157437074
CID 157437074
3-Benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-butoxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-butoxyphenyl)pyrazin-2-amine;1-bromobutane;2-(4-butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158310003
3-Benzyl-5-(4-ethylphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 158681598
4-(5-Amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate
CID 158833711
3-Benzyl-5-bromopyrazin-2-amine;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-[4-(3-methoxypropoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-[4-(3-methoxypropoxy)phenyl]pyrazin-2-amine;1-bromo-3-methoxypropane;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-[4-(3-methoxypropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158981998
3-Benzyl-5-bromopyrazin-2-amine;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-[4-(methoxymethyl)phenyl]pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)
CID 159024951
3-Benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate
CID 159566063
CID 160159084
CID 160159084
3-Benzyl-5-(4-ethylphenyl)pyrazin-2-amine;2,8-dibenzyl-6-(4-ethylphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 160297452
Sodium;6-[4-(2-azidoethoxy)phenyl]-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[4-(2-azidoethoxy)phenyl]-3-benzylpyrazin-2-amine;2-[4-(2-azidoethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-benzyl-5-bromopyrazin-2-amine;2-[4-(2-bromoethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;deuterio(fluoro)methane;1,2-dibromoethane;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;azide
CID 160355550
CID 160445430
CID 160445430
4-(5-Amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate
CID 160565503

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)?
The IUPAC name of 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane) (CID 159276408) is 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane).
What is the SMILES notation for 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)?
The canonical SMILES for 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane) is CCOC(OCC)C(=O)Cc1ccc(C)cc1.CCc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1.CCc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cl[Pd]Cl.Nc1ncc(Br)nc1Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)?
The InChIKey is CCZLKJJQHLIJKE-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H25N3O2.C19H19N3.2C18H15P.C14H21BO2.C14H20O3.C11H10BrN3.2ClH.Pd/c1-2-19-8-12-22(13-9-19)26-18-31-27(24(29-26)16-20-6-4-3-5-7-20)30-25(28(31)33)17-21-10-14-23(32)15-11-21;1-2-14-8-10-16(11-9-14)18-13-21-19(20)17(22-18)12-15-6-4-3-5-7-15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15;1-4-16-14(17-5-2)13(15)10-12-8-6-11(3)7-9-12;12-10-7-14-11(13)9(15-10)6-8-4-2-1-3-5-8;;;/h3-15,18,32-33H,2,16-17H2,1H3;3-11,13H,2,12H2,1H3,(H2,20,21);2*1-15H;7-10H,6H2,1-5H3;6-9,14H,4-5,10H2,1-3H3;1-5,7H,6H2,(H2,13,14);2*1H;/q;;;;;;;;;+2/p-2.
What are the key properties of 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane)?
3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane) has a molecular weight of 2159.39 g/mol, XLogP of 25.16, 27 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-bromopyrazin-2-amine;8-benzyl-6-(4-ethylphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-ethylphenyl)pyrazin-2-amine;dichloropalladium;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(triphenylphosphane) is sourced from PubChem (CID 159276408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).