3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide

C71H77BClN33O9S2 — CID 157083098

IUPAC3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(N)=O.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-n2nccn2)nc1N.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cc1cnc2ccc(-c3nc(C=O)c(N)nc3-n3nccn3)cn12.Cc1cnc2ccc(-c3nc(CCS(=O)C(C)(C)C)c(N)nc3-n3nccn3)cn12.Cc1cnc2ccc(B(O)O)cn12
InChIInChI=1S/C20H24N8OS.C16H14N8O2.C15H12N8O.C8H9BN2O2.C8H7ClN6O2.C4H11NOS/c1-13-11-22-16-6-5-14(12-27(13)16)17-19(28-23-8-9-24-28)26-18(21)15(25-17)7-10-30(29)20(2,3)4;1-9-7-18-11-4-3-10(8-23(9)11)12-15(24-19-5-6-20-24)22-14(17)13(21-12)16(25)26-2;1-9-6-17-12-3-2-10(7-22(9)12)13-15(23-18-4-5-19-23)21-14(16)11(8-24)20-13;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-4(2,3)7(5)6/h5-6,8-9,11-12H,7,10H2,1-4H3,(H2,21,26);3-8H,1-2H3,(H2,17,22);2-8H,1H3,(H2,16,21);2-5,12-13H,1H3;2-3H,1H3,(H2,10,14);5H2,1-3H3
InChIKeyADTWYHICNJGMNH-UHFFFAOYSA-N
MW1647.02 g/mol
LogP4.29
Rot. Bonds14

About 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide (PubChem CID 157083098) has the molecular formula C71H77BClN33O9S2 and a molecular weight of 1647.02 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide
PubChem CID157083098
Molecular FormulaC71H77BClN33O9S2
Molecular Weight1647.02 g/mol
Exact Mass1645.58
IUPAC Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(N)=O.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-n2nccn2)nc1N.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cc1cnc2ccc(-c3nc(C=O)c(N)nc3-n3nccn3)cn12.Cc1cnc2ccc(-c3nc(CCS(=O)C(C)(C)C)c(N)nc3-n3nccn3)cn12.Cc1cnc2ccc(B(O)O)cn12
InChIInChI=1S/C20H24N8OS.C16H14N8O2.C15H12N8O.C8H9BN2O2.C8H7ClN6O2.C4H11NOS/c1-13-11-22-16-6-5-14(12-27(13)16)17-19(28-23-8-9-24-28)26-18(21)15(25-17)7-10-30(29)20(2,3)4;1-9-7-18-11-4-3-10(8-23(9)11)12-15(24-19-5-6-20-24)22-14(17)13(21-12)16(25)26-2;1-9-6-17-12-3-2-10(7-22(9)12)13-15(23-18-4-5-19-23)21-14(16)11(8-24)20-13;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-4(2,3)7(5)6/h5-6,8-9,11-12H,7,10H2,1-4H3,(H2,21,26);3-8H,1-2H3,(H2,17,22);2-8H,1H3,(H2,16,21);2-5,12-13H,1H3;2-3H,1H3,(H2,10,14);5H2,1-3H3
InChIKeyADTWYHICNJGMNH-UHFFFAOYSA-N
XLogP4.29
TPSA569.53 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds14
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001647.02
LogP ≤ 54.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

3-Amino-6-imidazo[1,2-a]pyridin-6-yl-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(triazol-2-yl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;methane;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate
CID 157218230
3-Amino-6-imidazo[1,2-a]pyridin-6-yl-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(triazol-2-yl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate
CID 157792394
lithium;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-oxolan-2-yl]propan-1-one;methane;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-oxolan-2-yl]methanamine;hydroxide
CID 159725631
lithium;3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-oxolan-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-oxolan-2-yl]methanamine;hydroxide
CID 160745245

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide?
The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide (CID 157083098) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide.
What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide?
The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide is CC(C)(C)S(N)=O.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-n2nccn2)nc1N.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cc1cnc2ccc(-c3nc(C=O)c(N)nc3-n3nccn3)cn12.Cc1cnc2ccc(-c3nc(CCS(=O)C(C)(C)C)c(N)nc3-n3nccn3)cn12.Cc1cnc2ccc(B(O)O)cn12.
What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide?
The InChIKey is ADTWYHICNJGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS.C16H14N8O2.C15H12N8O.C8H9BN2O2.C8H7ClN6O2.C4H11NOS/c1-13-11-22-16-6-5-14(12-27(13)16)17-19(28-23-8-9-24-28)26-18(21)15(25-17)7-10-30(29)20(2,3)4;1-9-7-18-11-4-3-10(8-23(9)11)12-15(24-19-5-6-20-24)22-14(17)13(21-12)16(25)26-2;1-9-6-17-12-3-2-10(7-22(9)12)13-15(23-18-4-5-19-23)21-14(16)11(8-24)20-13;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-4(2,3)7(5)6/h5-6,8-9,11-12H,7,10H2,1-4H3,(H2,21,26);3-8H,1-2H3,(H2,17,22);2-8H,1H3,(H2,16,21);2-5,12-13H,1H3;2-3H,1H3,(H2,10,14);5H2,1-3H3.
What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide?
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide has a molecular weight of 1647.02 g/mol, XLogP of 4.29, 14 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carbaldehyde;3-(2-tert-butylsulfinylethyl)-5-(3-methylimidazo[1,2-a]pyridin-6-yl)-6-(triazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(triazol-2-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methylpropane-2-sulfinamide is sourced from PubChem (CID 157083098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).