4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide

C57H54N24O6S3 — CID 158194742

IUPAC4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cs1.NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)nc3)c3ncnn23)cs1.NC(=O)c1cc(-c2cnc(Nc3cnc(N4CCOCC4)nc3)c3ncnn23)cs1
InChIInChI=1S/C20H19N7O2S.C19H18N8O2S.C18H17N9O2S/c21-18(28)17-9-13(11-30-17)16-10-22-19(20-23-12-24-27(16)20)25-14-1-3-15(4-2-14)26-5-7-29-8-6-26;20-17(28)15-7-12(10-30-15)14-9-22-18(19-23-11-24-27(14)19)25-13-1-2-16(21-8-13)26-3-5-29-6-4-26;19-15(28)14-5-11(9-30-14)13-8-20-16(17-23-10-24-27(13)17)25-12-6-21-18(22-7-12)26-1-3-29-4-2-26/h1-4,9-12H,5-8H2,(H2,21,28)(H,22,25);1-2,7-11H,3-6H2,(H2,20,28)(H,22,25);5-10H,1-4H2,(H2,19,28)(H,20,25)
InChIKeyGAFAACRWFVXQAD-UHFFFAOYSA-N
MW1267.42 g/mol
LogP5.78
Rot. Bonds15

About 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide

4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide (PubChem CID 158194742) has the molecular formula C57H54N24O6S3 and a molecular weight of 1267.42 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
PubChem CID158194742
Molecular FormulaC57H54N24O6S3
Molecular Weight1267.42 g/mol
Exact Mass1266.38
IUPAC Name4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cs1.NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)nc3)c3ncnn23)cs1.NC(=O)c1cc(-c2cnc(Nc3cnc(N4CCOCC4)nc3)c3ncnn23)cs1
InChIInChI=1S/C20H19N7O2S.C19H18N8O2S.C18H17N9O2S/c21-18(28)17-9-13(11-30-17)16-10-22-19(20-23-12-24-27(16)20)25-14-1-3-15(4-2-14)26-5-7-29-8-6-26;20-17(28)15-7-12(10-30-15)14-9-22-18(19-23-11-24-27(14)19)25-13-1-2-16(21-8-13)26-3-5-29-6-4-26;19-15(28)14-5-11(9-30-14)13-8-20-16(17-23-10-24-27(13)17)25-12-6-21-18(22-7-12)26-1-3-29-4-2-26/h1-4,9-12H,5-8H2,(H2,21,28)(H,22,25);1-2,7-11H,3-6H2,(H2,20,28)(H,22,25);5-10H,1-4H2,(H2,19,28)(H,20,25)
InChIKeyGAFAACRWFVXQAD-UHFFFAOYSA-N
XLogP5.78
TPSA370.68 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.42
LogP ≤ 55.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

US10100058, Example 211
CID 134539877
US10100058, Example 223
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US10100058, Example 155
CID 134539809
US10100058, Example 253
CID 134540115
US10100058, Example 337
CID 134540218
4-[8-[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 24888612
4-[8-[[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridin-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 24888613
8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
CID 158798655
N,N-dimethyl-2-[4-[[1-[2-[4-[[8-[8-(4,4,4-trifluorobutanoyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]acetamide;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(thiophene-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(4,4,4-trifluorobutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-3,3-dimethyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one;4,4,4-trifluoro-1-[3-[2-[[1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 159332943
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)thieno[3,2-c]pyridin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(cyclohexen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;[6-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]imino-1,4,5,7-tetrahydropurin-8-yl]-morpholin-4-ylmethanone
CID 165063065
4-{8-[4-(4-(Cyclopropylmethyl)piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}thiophene-2-carboxylic acid amide
CID 24888611
4-[8-[[6-(4-Propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 24888614

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide (CID 158194742) is 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide is NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cs1.NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)nc3)c3ncnn23)cs1.NC(=O)c1cc(-c2cnc(Nc3cnc(N4CCOCC4)nc3)c3ncnn23)cs1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide?
The InChIKey is GAFAACRWFVXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S.C19H18N8O2S.C18H17N9O2S/c21-18(28)17-9-13(11-30-17)16-10-22-19(20-23-12-24-27(16)20)25-14-1-3-15(4-2-14)26-5-7-29-8-6-26;20-17(28)15-7-12(10-30-15)14-9-22-18(19-23-11-24-27(14)19)25-13-1-2-16(21-8-13)26-3-5-29-6-4-26;19-15(28)14-5-11(9-30-14)13-8-20-16(17-23-10-24-27(13)17)25-12-6-21-18(22-7-12)26-1-3-29-4-2-26/h1-4,9-12H,5-8H2,(H2,21,28)(H,22,25);1-2,7-11H,3-6H2,(H2,20,28)(H,22,25);5-10H,1-4H2,(H2,19,28)(H,20,25).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide?
4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide has a molecular weight of 1267.42 g/mol, XLogP of 5.78, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide;4-[8-[(2-morpholin-4-ylpyrimidin-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158194742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).