2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C82H77FN20O7 — CID 157124425

IUPAC2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cn3ccnc23)cc1.CCN(CCO)c1ccc(Nc2nc(-c3ccccc3CO)cn3ccnc23)cc1.COc1cc(-c2cn3ccnc3c(NCc3ccccn3)n2)cc(OC)c1OC.Fc1ccccc1-c1cn2ccnc2c(NCc2ccccn2)n1
InChIInChI=1S/C23H25N5O2.C21H21N5O3.C20H17N5O2.C18H14FN5/c1-2-27(13-14-29)19-9-7-18(8-10-19)25-22-23-24-11-12-28(23)15-21(26-22)20-6-4-3-5-17(20)16-30;1-27-17-10-14(11-18(28-2)19(17)29-3)16-13-26-9-8-23-21(26)20(25-16)24-12-15-6-4-5-7-22-15;1-13(26)22-15-4-6-16(7-5-15)23-19-20-21-10-11-25(20)12-18(24-19)14-2-8-17(27)9-3-14;19-15-7-2-1-6-14(15)16-12-24-10-9-21-18(24)17(23-16)22-11-13-5-3-4-8-20-13/h3-12,15,29-30H,2,13-14,16H2,1H3,(H,25,26);4-11,13H,12H2,1-3H3,(H,24,25);2-12,27H,1H3,(H,22,26)(H,23,24);1-10,12H,11H2,(H,22,23)
InChIKeyAIIUHFCYQXEFCN-UHFFFAOYSA-N
MW1473.65 g/mol
LogP14.23
Rot. Bonds23

About 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 157124425) has the molecular formula C82H77FN20O7 and a molecular weight of 1473.65 g/mol. Its IUPAC name is 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID157124425
Molecular FormulaC82H77FN20O7
Molecular Weight1473.65 g/mol
Exact Mass1472.63
IUPAC Name2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cn3ccnc23)cc1.CCN(CCO)c1ccc(Nc2nc(-c3ccccc3CO)cn3ccnc23)cc1.COc1cc(-c2cn3ccnc3c(NCc3ccccn3)n2)cc(OC)c1OC.Fc1ccccc1-c1cn2ccnc2c(NCc2ccccn2)n1
InChIInChI=1S/C23H25N5O2.C21H21N5O3.C20H17N5O2.C18H14FN5/c1-2-27(13-14-29)19-9-7-18(8-10-19)25-22-23-24-11-12-28(23)15-21(26-22)20-6-4-3-5-17(20)16-30;1-27-17-10-14(11-18(28-2)19(17)29-3)16-13-26-9-8-23-21(26)20(25-16)24-12-15-6-4-5-7-22-15;1-13(26)22-15-4-6-16(7-5-15)23-19-20-21-10-11-25(20)12-18(24-19)14-2-8-17(27)9-3-14;19-15-7-2-1-6-14(15)16-12-24-10-9-21-18(24)17(23-16)22-11-13-5-3-4-8-20-13/h3-12,15,29-30H,2,13-14,16H2,1H3,(H,25,26);4-11,13H,12H2,1-3H3,(H,24,25);2-12,27H,1H3,(H,22,26)(H,23,24);1-10,12H,11H2,(H,22,23)
InChIKeyAIIUHFCYQXEFCN-UHFFFAOYSA-N
XLogP14.23
TPSA315.38 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms110
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001473.65
LogP ≤ 514.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 157124425) is 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is CC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cn3ccnc23)cc1.CCN(CCO)c1ccc(Nc2nc(-c3ccccc3CO)cn3ccnc23)cc1.COc1cc(-c2cn3ccnc3c(NCc3ccccn3)n2)cc(OC)c1OC.Fc1ccccc1-c1cn2ccnc2c(NCc2ccccn2)n1.
What is the InChIKey of 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AIIUHFCYQXEFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C21H21N5O3.C20H17N5O2.C18H14FN5/c1-2-27(13-14-29)19-9-7-18(8-10-19)25-22-23-24-11-12-28(23)15-21(26-22)20-6-4-3-5-17(20)16-30;1-27-17-10-14(11-18(28-2)19(17)29-3)16-13-26-9-8-23-21(26)20(25-16)24-12-15-6-4-5-7-22-15;1-13(26)22-15-4-6-16(7-5-15)23-19-20-21-10-11-25(20)12-18(24-19)14-2-8-17(27)9-3-14;19-15-7-2-1-6-14(15)16-12-24-10-9-21-18(24)17(23-16)22-11-13-5-3-4-8-20-13/h3-12,15,29-30H,2,13-14,16H2,1H3,(H,25,26);4-11,13H,12H2,1-3H3,(H,24,25);2-12,27H,1H3,(H,22,26)(H,23,24);1-10,12H,11H2,(H,22,23).
What are the key properties of 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1473.65 g/mol, XLogP of 14.23, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;N-(pyridin-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 157124425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).