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

C44H37ClFN23O5 — CID 157218230

IUPAC3-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
SMILESC.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Nc1nc(-n2nccn2)c(-c2ccc3nccn3c2)nc1C(=O)CCc1ncccc1F.Nc1nc(-n2nccn2)c(-c2ccc3nccn3c2)nc1C(=O)O
InChIInChI=1S/C21H16FN9O.C14H10N8O2.C8H7ClN6O2.CH4/c22-14-2-1-7-24-15(14)4-5-16(32)19-20(23)29-21(31-26-8-9-27-31)18(28-19)13-3-6-17-25-10-11-30(17)12-13;15-12-11(14(23)24)19-10(13(20-12)22-17-3-4-18-22)8-1-2-9-16-5-6-21(9)7-8;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;/h1-3,6-12H,4-5H2,(H2,23,29);1-7H,(H2,15,20)(H,23,24);2-3H,1H3,(H2,10,14);1H4
InChIKeyASRBVOUDKFMWCN-UHFFFAOYSA-N
MW1022.39 g/mol
LogP3.67
Rot. Bonds11

About 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

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 (PubChem CID 157218230) has the molecular formula C44H37ClFN23O5 and a molecular weight of 1022.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157218230
Molecular FormulaC44H37ClFN23O5
Molecular Weight1022.39 g/mol
Exact Mass1021.30
IUPAC Name3-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
SMILESC.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Nc1nc(-n2nccn2)c(-c2ccc3nccn3c2)nc1C(=O)CCc1ncccc1F.Nc1nc(-n2nccn2)c(-c2ccc3nccn3c2)nc1C(=O)O
InChIInChI=1S/C21H16FN9O.C14H10N8O2.C8H7ClN6O2.CH4/c22-14-2-1-7-24-15(14)4-5-16(32)19-20(23)29-21(31-26-8-9-27-31)18(28-19)13-3-6-17-25-10-11-30(17)12-13;15-12-11(14(23)24)19-10(13(20-12)22-17-3-4-18-22)8-1-2-9-16-5-6-21(9)7-8;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;/h1-3,6-12H,4-5H2,(H2,23,29);1-7H,(H2,15,20)(H,23,24);2-3H,1H3,(H2,10,14);1H4
InChIKeyASRBVOUDKFMWCN-UHFFFAOYSA-N
XLogP3.67
TPSA375.69 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.39
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

[8-Tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
CID 157697778
2-(Azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;hydrochloride
CID 157068974
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
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride
CID 157183074
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;methyl 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;methyl 2H-triazole-4-carboxylate
CID 157205696
2-[6-[3-(2,2-Difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;ethyl 6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 157207421
N-(2-aminoethyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 157222188
Tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;morpholine
CID 157224688
2-[[4-(Azidomethyl)triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine;2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetic acid;1-(7-chloroimidazo[1,5-a]pyridin-1-yl)-4-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]butan-2-one;[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanamine;[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;methane;iodide
CID 157226661
8-[benzyl(methyl)amino]-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid;1-[8-[benzyl(methyl)amino]-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone;cis-(1S,2R)-2-fluorocyclopropan-1-amine;2-[(1R,2S)-2-fluorocyclopropyl]-1-[8-(methylamino)-6-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 157627986
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
3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
CID 157993056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Nc1nc(-n2nccn2)c(-c2ccc3nccn3c2)nc1C(=O)CCc1ncccc1F.Nc1nc(-n2nccn2)c(-c2ccc3nccn3c2)nc1C(=O)O.
What is the InChIKey of 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?
The InChIKey is ASRBVOUDKFMWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN9O.C14H10N8O2.C8H7ClN6O2.CH4/c22-14-2-1-7-24-15(14)4-5-16(32)19-20(23)29-21(31-26-8-9-27-31)18(28-19)13-3-6-17-25-10-11-30(17)12-13;15-12-11(14(23)24)19-10(13(20-12)22-17-3-4-18-22)8-1-2-9-16-5-6-21(9)7-8;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;/h1-3,6-12H,4-5H2,(H2,23,29);1-7H,(H2,15,20)(H,23,24);2-3H,1H3,(H2,10,14);1H4.
What are the key properties of 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?
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 has a molecular weight of 1022.39 g/mol, XLogP of 3.67, 11 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157218230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).