3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol

C100H97N11O10S4 — CID 158660400

IUPAC3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol
SMILESCCOC(OCC)C(=O)Cc1ccccc1.Cc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.O=C(OCCCSSc1ccccn1)Oc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1.OCCCSSc1ccccn1.Oc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C35H30N4O4S2.C26H21N3O2.C18H17N3.C13H18O3.C8H11NOS2/c40-34-30(23-26-12-5-2-6-13-26)38-33-29(22-25-10-3-1-4-11-25)37-31(24-39(33)34)27-15-17-28(18-16-27)43-35(41)42-20-9-21-44-45-32-14-7-8-19-36-32;30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19;1-13-7-9-15(10-8-13)17-12-20-18(19)16(21-17)11-14-5-3-2-4-6-14;1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11;10-6-3-7-11-12-8-4-1-2-5-9-8/h1-8,10-19,24,40H,9,20-23H2;1-14,17,30-31H,15-16H2;2-10,12H,11H2,1H3,(H2,19,20);5-9,13H,3-4,10H2,1-2H3;1-2,4-5,10H,3,6-7H2
InChIKeyGZTZBHUELKODLT-UHFFFAOYSA-N
MW1741.21 g/mol
LogP21.04
Rot. Bonds32

About 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol

3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol (PubChem CID 158660400) has the molecular formula C100H97N11O10S4 and a molecular weight of 1741.21 g/mol. Its IUPAC name is 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol
PubChem CID158660400
Molecular FormulaC100H97N11O10S4
Molecular Weight1741.21 g/mol
Exact Mass1739.63
IUPAC Name3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol
SMILESCCOC(OCC)C(=O)Cc1ccccc1.Cc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.O=C(OCCCSSc1ccccn1)Oc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1.OCCCSSc1ccccn1.Oc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C35H30N4O4S2.C26H21N3O2.C18H17N3.C13H18O3.C8H11NOS2/c40-34-30(23-26-12-5-2-6-13-26)38-33-29(22-25-10-3-1-4-11-25)37-31(24-39(33)34)27-15-17-28(18-16-27)43-35(41)42-20-9-21-44-45-32-14-7-8-19-36-32;30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19;1-13-7-9-15(10-8-13)17-12-20-18(19)16(21-17)11-14-5-3-2-4-6-14;1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11;10-6-3-7-11-12-8-4-1-2-5-9-8/h1-8,10-19,24,40H,9,20-23H2;1-14,17,30-31H,15-16H2;2-10,12H,11H2,1H3,(H2,19,20);5-9,13H,3-4,10H2,1-2H3;1-2,4-5,10H,3,6-7H2
InChIKeyGZTZBHUELKODLT-UHFFFAOYSA-N
XLogP21.04
TPSA289.94 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.21
LogP ≤ 521.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-(2,8-Dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate
CID 136175276
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-butoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-(4-butoxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 158492218
3-Benzyl-5-(4-propoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 158639665
3-Benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(4-hydroxybutoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 158787395
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
4-(5-Amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;2-oxo-3-(4-phenylmethoxyphenyl)propanal;dihydrochloride
CID 159132068
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
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)-lambda4-sulfanyl]oxyphenyl]-1,1-diethoxypropan-2-one;hydrate
CID 161021268
3-Benzyl-5-(4-hexoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(5-hydroxypentoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 161070013
3-Benzyl-5-bromopyrazin-2-amine;8-benzyl-6-[4-(4-hydroxybutoxy)phenyl]-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-benzyl-5-(4-pentoxyphenyl)pyrazin-2-amine;1-bromopentane;1,1-diethoxy-3-(4-methylphenyl)propan-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;4,4,5,5-tetramethyl-2-(4-pentoxyphenyl)-1,3,2-dioxaborolane
CID 161246023
3-Benzyl-5-(4-butoxyphenyl)pyrazin-2-amine;2,8-dibenzyl-6-[4-(3-hydroxypropoxy)phenyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one
CID 161850852

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol?
The IUPAC name of 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol (CID 158660400) is 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol.
What is the SMILES notation for 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol?
The canonical SMILES for 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol is CCOC(OCC)C(=O)Cc1ccccc1.Cc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.O=C(OCCCSSc1ccccn1)Oc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1.OCCCSSc1ccccn1.Oc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol?
The InChIKey is GZTZBHUELKODLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O4S2.C26H21N3O2.C18H17N3.C13H18O3.C8H11NOS2/c40-34-30(23-26-12-5-2-6-13-26)38-33-29(22-25-10-3-1-4-11-25)37-31(24-39(33)34)27-15-17-28(18-16-27)43-35(41)42-20-9-21-44-45-32-14-7-8-19-36-32;30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19;1-13-7-9-15(10-8-13)17-12-20-18(19)16(21-17)11-14-5-3-2-4-6-14;1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11;10-6-3-7-11-12-8-4-1-2-5-9-8/h1-8,10-19,24,40H,9,20-23H2;1-14,17,30-31H,15-16H2;2-10,12H,11H2,1H3,(H2,19,20);5-9,13H,3-4,10H2,1-2H3;1-2,4-5,10H,3,6-7H2.
What are the key properties of 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol?
3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol has a molecular weight of 1741.21 g/mol, XLogP of 21.04, 32 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methylphenyl)pyrazin-2-amine;[4-(2,8-dibenzyl-3-hydroxyimidazo[1,2-a]pyrazin-6-yl)phenyl] 3-(pyridin-2-yldisulfanyl)propyl carbonate;2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-phenylpropan-2-one;3-(pyridin-2-yldisulfanyl)propan-1-ol is sourced from PubChem (CID 158660400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).