5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C149H146F6N60O8 — CID 157340522

IUPAC5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(C#N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(C#N)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(C(N)=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)(F)F)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)F)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCF)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C23H23N9O.C22H23N9O2.C22H25N9O.C22H21N9O.C20H17F3N8O.C20H18F2N8O.C20H19FN8O/c1-22(2,13-24)14-32-12-16(10-29-32)19-30-20(31-33-19)23(6-3-7-23)17-4-5-18(26-11-17)15-8-27-21(25)28-9-15;1-21(2,18(23)32)31-12-14(10-28-31)17-29-19(30-33-17)22(6-3-7-22)15-4-5-16(25-11-15)13-8-26-20(24)27-9-13;1-21(2,24)13-31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(23)27-9-14;1-21(2,13-23)31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(24)27-9-14;21-20(22,23)11-31-10-13(8-28-31)16-29-17(30-32-16)19(4-1-5-19)14-2-3-15(25-9-14)12-6-26-18(24)27-7-12;21-16(22)11-30-10-13(8-27-30)17-28-18(29-31-17)20(4-1-5-20)14-2-3-15(24-9-14)12-6-25-19(23)26-7-12;21-6-7-29-12-14(10-26-29)17-27-18(28-30-17)20(4-1-5-20)15-2-3-16(23-11-15)13-8-24-19(22)25-9-13/h4-5,8-12H,3,6-7,14H2,1-2H3,(H2,25,27,28);4-5,8-12H,3,6-7H2,1-2H3,(H2,23,32)(H2,24,26,27);4-5,8-12H,3,6-7,13,24H2,1-2H3,(H2,23,26,27);4-5,8-12H,3,6-7H2,1-2H3,(H2,24,26,27);2-3,6-10H,1,4-5,11H2,(H2,24,26,27);2-3,6-10,16H,1,4-5,11H2,(H2,23,25,26);2-3,8-12H,1,4-7H2,(H2,22,24,25)
InChIKeyBGILGBZKKLNUCZ-UHFFFAOYSA-N
MW3019.21 g/mol
LogP20.42
Rot. Bonds40

About 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157340522) has the molecular formula C149H146F6N60O8 and a molecular weight of 3019.21 g/mol. Its IUPAC name is 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID157340522
Molecular FormulaC149H146F6N60O8
Molecular Weight3019.21 g/mol
Exact Mass3017.28
IUPAC Name5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(C#N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(C#N)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(C(N)=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)(F)F)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)F)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCF)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C23H23N9O.C22H23N9O2.C22H25N9O.C22H21N9O.C20H17F3N8O.C20H18F2N8O.C20H19FN8O/c1-22(2,13-24)14-32-12-16(10-29-32)19-30-20(31-33-19)23(6-3-7-23)17-4-5-18(26-11-17)15-8-27-21(25)28-9-15;1-21(2,18(23)32)31-12-14(10-28-31)17-29-19(30-33-17)22(6-3-7-22)15-4-5-16(25-11-15)13-8-26-20(24)27-9-13;1-21(2,24)13-31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(23)27-9-14;1-21(2,13-23)31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(24)27-9-14;21-20(22,23)11-31-10-13(8-28-31)16-29-17(30-32-16)19(4-1-5-19)14-2-3-15(25-9-14)12-6-26-18(24)27-7-12;21-16(22)11-30-10-13(8-27-30)17-28-18(29-31-17)20(4-1-5-20)14-2-3-15(24-9-14)12-6-25-19(23)26-7-12;21-6-7-29-12-14(10-26-29)17-27-18(28-30-17)20(4-1-5-20)15-2-3-16(23-11-15)13-8-24-19(22)25-9-13/h4-5,8-12H,3,6-7,14H2,1-2H3,(H2,25,27,28);4-5,8-12H,3,6-7H2,1-2H3,(H2,23,32)(H2,24,26,27);4-5,8-12H,3,6-7,13,24H2,1-2H3,(H2,23,26,27);4-5,8-12H,3,6-7H2,1-2H3,(H2,24,26,27);2-3,6-10H,1,4-5,11H2,(H2,24,26,27);2-3,6-10,16H,1,4-5,11H2,(H2,23,25,26);2-3,8-12H,1,4-7H2,(H2,22,24,25)
InChIKeyBGILGBZKKLNUCZ-UHFFFAOYSA-N
XLogP20.42
TPSA966.70 Ų
H-Bond Donors9
H-Bond Acceptors67
Rotatable Bonds40
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003019.21
LogP ≤ 520.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1067

Analyze 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)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 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 157340522) is 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(C#N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(C#N)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(C(N)=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)(F)F)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)F)c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCF)c5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BGILGBZKKLNUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O.C22H23N9O2.C22H25N9O.C22H21N9O.C20H17F3N8O.C20H18F2N8O.C20H19FN8O/c1-22(2,13-24)14-32-12-16(10-29-32)19-30-20(31-33-19)23(6-3-7-23)17-4-5-18(26-11-17)15-8-27-21(25)28-9-15;1-21(2,18(23)32)31-12-14(10-28-31)17-29-19(30-33-17)22(6-3-7-22)15-4-5-16(25-11-15)13-8-26-20(24)27-9-13;1-21(2,24)13-31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(23)27-9-14;1-21(2,13-23)31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(24)27-9-14;21-20(22,23)11-31-10-13(8-28-31)16-29-17(30-32-16)19(4-1-5-19)14-2-3-15(25-9-14)12-6-26-18(24)27-7-12;21-16(22)11-30-10-13(8-27-30)17-28-18(29-31-17)20(4-1-5-20)14-2-3-15(24-9-14)12-6-25-19(23)26-7-12;21-6-7-29-12-14(10-26-29)17-27-18(28-30-17)20(4-1-5-20)15-2-3-16(23-11-15)13-8-24-19(22)25-9-13/h4-5,8-12H,3,6-7,14H2,1-2H3,(H2,25,27,28);4-5,8-12H,3,6-7H2,1-2H3,(H2,23,32)(H2,24,26,27);4-5,8-12H,3,6-7,13,24H2,1-2H3,(H2,23,26,27);4-5,8-12H,3,6-7H2,1-2H3,(H2,24,26,27);2-3,6-10H,1,4-5,11H2,(H2,24,26,27);2-3,6-10,16H,1,4-5,11H2,(H2,23,25,26);2-3,8-12H,1,4-7H2,(H2,22,24,25).
What are the key properties of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3019.21 g/mol, XLogP of 20.42, 40 rotatable bonds, 9 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;3-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2,2-dimethylpropanenitrile;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanamide;2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-[1-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157340522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).