2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C155H161N61O14S — CID 159296191

IUPAC2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.COCCCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCOCC6)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C24H27N9O2.C23H24N8O2.2C22H23N9O2.C22H22N8O3S.C21H21N9O2.C21H21N9O/c25-23-27-12-17(13-28-23)20-3-2-19(15-26-20)24(4-1-5-24)22-30-21(35-31-22)18-14-29-33(16-18)7-6-32-8-10-34-11-9-32;1-32-9-2-4-17-13-27-19(14-25-17)20-30-21(31-33-20)23(7-3-8-23)16-5-6-18(26-12-16)15-10-28-22(24)29-11-15;1-30(2)19(32)13-31-12-14(8-27-31)20-28-21(29-33-20)22(6-3-7-22)15-4-5-16(24-9-15)17-10-26-18(23)11-25-17;1-30(2)18(32)13-31-12-15(10-27-31)19-28-20(29-33-19)22(6-3-7-22)16-4-5-17(24-11-16)14-8-25-21(23)26-9-14;23-21-25-8-14(9-26-21)18-3-2-16(11-24-18)22(5-1-6-22)20-28-19(33-29-20)15-10-27-30(12-15)17-4-7-34(31,32)13-17;1-23-17(31)12-30-11-14(9-27-30)18-28-19(29-32-18)21(5-2-6-21)15-3-4-16(24-10-15)13-7-25-20(22)26-8-13;1-2-23-17-12-25-16(11-26-17)18-29-19(30-31-18)21(6-3-7-21)14-4-5-15(24-10-14)13-8-27-20(22)28-9-13/h2-3,12-16H,1,4-11H2,(H2,25,27,28);5-6,10-14H,2-4,7-9H2,1H3,(H2,24,28,29);4-5,8-12H,3,6-7,13H2,1-2H3,(H2,23,26);4-5,8-12H,3,6-7,13H2,1-2H3,(H2,23,25,26);2-3,8-12,17H,1,4-7,13H2,(H2,23,25,26);3-4,7-11H,2,5-6,12H2,1H3,(H,23,31)(H2,22,25,26);4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyLATFYKFVVXAXHV-UHFFFAOYSA-N
MW3134.47 g/mol
LogP15.67
Rot. Bonds44

About 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159296191) has the molecular formula C155H161N61O14S and a molecular weight of 3134.47 g/mol. Its IUPAC name is 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID159296191
Molecular FormulaC155H161N61O14S
Molecular Weight3134.47 g/mol
Exact Mass3132.35
IUPAC Name2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.COCCCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCOCC6)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C24H27N9O2.C23H24N8O2.2C22H23N9O2.C22H22N8O3S.C21H21N9O2.C21H21N9O/c25-23-27-12-17(13-28-23)20-3-2-19(15-26-20)24(4-1-5-24)22-30-21(35-31-22)18-14-29-33(16-18)7-6-32-8-10-34-11-9-32;1-32-9-2-4-17-13-27-19(14-25-17)20-30-21(31-33-20)23(7-3-8-23)16-5-6-18(26-12-16)15-10-28-22(24)29-11-15;1-30(2)19(32)13-31-12-14(8-27-31)20-28-21(29-33-20)22(6-3-7-22)15-4-5-16(24-9-15)17-10-26-18(23)11-25-17;1-30(2)18(32)13-31-12-15(10-27-31)19-28-20(29-33-19)22(6-3-7-22)16-4-5-17(24-11-16)14-8-25-21(23)26-9-14;23-21-25-8-14(9-26-21)18-3-2-16(11-24-18)22(5-1-6-22)20-28-19(33-29-20)15-10-27-30(12-15)17-4-7-34(31,32)13-17;1-23-17(31)12-30-11-14(9-27-30)18-28-19(29-32-18)21(5-2-6-21)15-3-4-16(24-10-15)13-7-25-20(22)26-8-13;1-2-23-17-12-25-16(11-26-17)18-29-19(30-31-18)21(6-3-7-21)14-4-5-15(24-10-14)13-8-27-20(22)28-9-13/h2-3,12-16H,1,4-11H2,(H2,25,27,28);5-6,10-14H,2-4,7-9H2,1H3,(H2,24,28,29);4-5,8-12H,3,6-7,13H2,1-2H3,(H2,23,26);4-5,8-12H,3,6-7,13H2,1-2H3,(H2,23,25,26);2-3,8-12,17H,1,4-7,13H2,(H2,23,25,26);3-4,7-11H,2,5-6,12H2,1H3,(H,23,31)(H2,22,25,26);4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyLATFYKFVVXAXHV-UHFFFAOYSA-N
XLogP15.67
TPSA1003.52 Ų
H-Bond Donors9
H-Bond Acceptors72
Rotatable Bonds44
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003134.47
LogP ≤ 515.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1072

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 159296191) is 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.COCCCc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCOCC6)c5)n4)CCC3)cn2)cn1.
What is the InChIKey of 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is LATFYKFVVXAXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O2.C23H24N8O2.2C22H23N9O2.C22H22N8O3S.C21H21N9O2.C21H21N9O/c25-23-27-12-17(13-28-23)20-3-2-19(15-26-20)24(4-1-5-24)22-30-21(35-31-22)18-14-29-33(16-18)7-6-32-8-10-34-11-9-32;1-32-9-2-4-17-13-27-19(14-25-17)20-30-21(31-33-20)23(7-3-8-23)16-5-6-18(26-12-16)15-10-28-22(24)29-11-15;1-30(2)19(32)13-31-12-14(8-27-31)20-28-21(29-33-20)22(6-3-7-22)15-4-5-16(24-9-15)17-10-26-18(23)11-25-17;1-30(2)18(32)13-31-12-15(10-27-31)19-28-20(29-33-19)22(6-3-7-22)16-4-5-17(24-11-16)14-8-25-21(23)26-9-14;23-21-25-8-14(9-26-21)18-3-2-16(11-24-18)22(5-1-6-22)20-28-19(33-29-20)15-10-27-30(12-15)17-4-7-34(31,32)13-17;1-23-17(31)12-30-11-14(9-27-30)18-28-19(29-32-18)21(5-2-6-21)15-3-4-16(24-10-15)13-7-25-20(22)26-8-13;1-2-23-17-12-25-16(11-26-17)18-29-19(30-31-18)21(6-3-7-21)14-4-5-15(24-10-14)13-8-27-20(22)28-9-13/h2-3,12-16H,1,4-11H2,(H2,25,27,28);5-6,10-14H,2-4,7-9H2,1H3,(H2,24,28,29);4-5,8-12H,3,6-7,13H2,1-2H3,(H2,23,26);4-5,8-12H,3,6-7,13H2,1-2H3,(H2,23,25,26);2-3,8-12,17H,1,4-7,13H2,(H2,23,25,26);3-4,7-11H,2,5-6,12H2,1H3,(H,23,31)(H2,22,25,26);4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)(H2,22,27,28).
What are the key properties of 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3134.47 g/mol, XLogP of 15.67, 44 rotatable bonds, 9 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[5-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(ethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159296191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).