5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C142H141F2N43O14S2 — CID 158323139

IUPAC5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCC(=O)NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNC(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CSCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(F)(F)C6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)NCCO)nc5)n4)CCC3)cc2)cn1
InChIInChI=1S/C26H23F2N7O2.C25H25N7O3.C24H23N7O3.C23H24N8O2.C22H23N7O3S.C22H23N7OS/c27-26(28)10-11-35(15-26)22(36)20-7-4-17(12-30-20)21-33-23(34-37-21)25(8-1-9-25)19-5-2-16(3-6-19)18-13-31-24(29)32-14-18;1-34-12-11-27-21(33)20-8-5-17(13-28-20)22-31-23(32-35-22)25(9-2-10-25)19-6-3-16(4-7-19)18-14-29-24(26)30-15-18;25-23-28-13-17(14-29-23)15-2-5-18(6-3-15)24(8-1-9-24)22-30-21(34-31-22)16-4-7-19(27-12-16)20(33)26-10-11-32;1-15(32)25-9-10-31-14-18(13-28-31)20-29-21(30-33-20)23(7-2-8-23)19-5-3-16(4-6-19)17-11-26-22(24)27-12-17;1-33(30,31)10-9-29-14-17(13-26-29)19-27-20(28-32-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16;1-31-10-9-29-14-17(13-26-29)19-27-20(28-30-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h2-7,12-14H,1,8-11,15H2,(H2,29,31,32);3-8,13-15H,2,9-12H2,1H3,(H,27,33)(H2,26,29,30);2-7,12-14,32H,1,8-11H2,(H,26,33)(H2,25,28,29);3-6,11-14H,2,7-10H2,1H3,(H,25,32)(H2,24,26,27);3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25);3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)
InChIKeyGPCAMOKHGZKLHF-UHFFFAOYSA-N
MW2776.11 g/mol
LogP18.37
Rot. Bonds41

About 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158323139) has the molecular formula C142H141F2N43O14S2 and a molecular weight of 2776.11 g/mol. Its IUPAC name is 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID158323139
Molecular FormulaC142H141F2N43O14S2
Molecular Weight2776.11 g/mol
Exact Mass2774.11
IUPAC Name5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCC(=O)NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNC(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CSCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(F)(F)C6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)NCCO)nc5)n4)CCC3)cc2)cn1
InChIInChI=1S/C26H23F2N7O2.C25H25N7O3.C24H23N7O3.C23H24N8O2.C22H23N7O3S.C22H23N7OS/c27-26(28)10-11-35(15-26)22(36)20-7-4-17(12-30-20)21-33-23(34-37-21)25(8-1-9-25)19-5-2-16(3-6-19)18-13-31-24(29)32-14-18;1-34-12-11-27-21(33)20-8-5-17(13-28-20)22-31-23(32-35-22)25(9-2-10-25)19-6-3-16(4-7-19)18-14-29-24(26)30-15-18;25-23-28-13-17(14-29-23)15-2-5-18(6-3-15)24(8-1-9-24)22-30-21(34-31-22)16-4-7-19(27-12-16)20(33)26-10-11-32;1-15(32)25-9-10-31-14-18(13-28-31)20-29-21(30-33-20)23(7-2-8-23)19-5-3-16(4-6-19)17-11-26-22(24)27-12-17;1-33(30,31)10-9-29-14-17(13-26-29)19-27-20(28-32-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16;1-31-10-9-29-14-17(13-26-29)19-27-20(28-30-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h2-7,12-14H,1,8-11,15H2,(H2,29,31,32);3-8,13-15H,2,9-12H2,1H3,(H,27,33)(H2,26,29,30);2-7,12-14,32H,1,8-11H2,(H,26,33)(H2,25,28,29);3-6,11-14H,2,7-10H2,1H3,(H,25,32)(H2,24,26,27);3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25);3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)
InChIKeyGPCAMOKHGZKLHF-UHFFFAOYSA-N
XLogP18.37
TPSA807.66 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds41
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002776.11
LogP ≤ 518.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158323139) is 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(=O)NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCNC(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CSCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(F)(F)C6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)NCCO)nc5)n4)CCC3)cc2)cn1.
What is the InChIKey of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is GPCAMOKHGZKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O2.C25H25N7O3.C24H23N7O3.C23H24N8O2.C22H23N7O3S.C22H23N7OS/c27-26(28)10-11-35(15-26)22(36)20-7-4-17(12-30-20)21-33-23(34-37-21)25(8-1-9-25)19-5-2-16(3-6-19)18-13-31-24(29)32-14-18;1-34-12-11-27-21(33)20-8-5-17(13-28-20)22-31-23(32-35-22)25(9-2-10-25)19-6-3-16(4-7-19)18-14-29-24(26)30-15-18;25-23-28-13-17(14-29-23)15-2-5-18(6-3-15)24(8-1-9-24)22-30-21(34-31-22)16-4-7-19(27-12-16)20(33)26-10-11-32;1-15(32)25-9-10-31-14-18(13-28-31)20-29-21(30-33-20)23(7-2-8-23)19-5-3-16(4-6-19)17-11-26-22(24)27-12-17;1-33(30,31)10-9-29-14-17(13-26-29)19-27-20(28-32-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16;1-31-10-9-29-14-17(13-26-29)19-27-20(28-30-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h2-7,12-14H,1,8-11,15H2,(H2,29,31,32);3-8,13-15H,2,9-12H2,1H3,(H,27,33)(H2,26,29,30);2-7,12-14,32H,1,8-11H2,(H,26,33)(H2,25,28,29);3-6,11-14H,2,7-10H2,1H3,(H,25,32)(H2,24,26,27);3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25);3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25).
What are the key properties of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2776.11 g/mol, XLogP of 18.37, 41 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide;N-[2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethyl]acetamide;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone;5-[4-[1-[5-[1-(2-methylsulfanylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158323139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).