7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine

C232H307FN72O29S — CID 158523493

IUPAC7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine
SMILESC=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(NS(C)(=O)=O)cc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(OC)nc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4c(c3)CN=C4)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(C(N)=O)c3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CC(C)=O)c3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cnc(OC)nc3)nc21)NO.C=C(CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(OCCO)c3)nc21)NO.CNC(=O)CCCCCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)CO)c3n2)cn1
InChIInChI=1S/C26H34N6O3.C25H31N7O2.C24H31FN6O4.C24H33N7O4S.C24H31N7O3.C23H31N7O3.C22H30N8O3.C22H30N8O2.C21H29N9O2.C21H27N7O3/c1-19(30-34)8-5-3-4-6-11-32-18-27-23-25(31-12-14-35-15-13-31)28-24(29-26(23)32)22-10-7-9-21(17-22)16-20(2)33;1-18(30-33)6-4-2-3-5-9-32-17-27-22-24(31-10-12-34-13-11-31)28-23(29-25(22)32)19-7-8-20-15-26-16-21(20)14-19;1-17(29-33)5-3-2-4-8-31-16-26-21-23(30-9-12-34-13-10-30)27-22(28-24(21)31)18-6-7-19(25)20(15-18)35-14-11-32;1-18(28-32)7-5-3-4-6-12-31-17-25-21-23(30-13-15-35-16-14-30)26-22(27-24(21)31)19-8-10-20(11-9-19)29-36(2,33)34;1-17(29-33)7-4-2-3-5-10-31-16-26-20-23(30-11-13-34-14-12-30)27-22(28-24(20)31)19-9-6-8-18(15-19)21(25)32;1-17(28-31)7-5-3-4-6-10-30-16-25-20-22(29-11-13-33-14-12-29)26-21(27-23(20)30)18-8-9-19(32-2)24-15-18;1-16(28-31)7-5-3-4-6-8-30-15-25-18-20(29-9-11-33-12-10-29)26-19(27-21(18)30)17-13-23-22(32-2)24-14-17;1-16(28-31)6-4-2-3-5-9-30-15-25-19-21(29-10-12-32-13-11-29)26-20(27-22(19)30)17-7-8-18(23)24-14-17;1-23-16(31)6-4-2-3-5-7-30-14-26-18-17(15-12-24-20(22)25-13-15)27-21(28-19(18)30)29-8-10-32-11-9-29;22-17-6-5-15(12-23-17)19-25-20(27-8-10-31-11-9-27)18-21(26-19)28(14-24-18)7-3-1-2-4-16(30)13-29/h7,9-10,17-18,30,34H,1,3-6,8,11-16H2,2H3;7-8,14-15,17,30,33H,1-6,9-13,16H2;6-7,15-16,29,32-33H,1-5,8-14H2;8-11,17,28-29,32H,1,3-7,12-16H2,2H3;6,8-9,15-16,29,33H,1-5,7,10-14H2,(H2,25,32);8-9,15-16,28,31H,1,3-7,10-14H2,2H3;13-15,28,31H,1,3-12H2,2H3;7-8,14-15,28,31H,1-6,9-13H2,(H2,23,24);12-14H,2-11H2,1H3,(H,23,31)(H2,22,24,25);5-6,12,14,29H,1-4,7-11,13H2,(H2,22,23)
InChIKeyHMMUZSSJFJCUIX-UHFFFAOYSA-N
MW4619.55 g/mol
LogP27.84
Rot. Bonds107

About 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine

7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine (PubChem CID 158523493) has the molecular formula C232H307FN72O29S and a molecular weight of 4619.55 g/mol. Its IUPAC name is 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound Name7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine
PubChem CID158523493
Molecular FormulaC232H307FN72O29S
Molecular Weight4619.55 g/mol
Exact Mass4616.45
IUPAC Name7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine
SMILESC=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(NS(C)(=O)=O)cc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(OC)nc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4c(c3)CN=C4)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(C(N)=O)c3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CC(C)=O)c3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cnc(OC)nc3)nc21)NO.C=C(CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(OCCO)c3)nc21)NO.CNC(=O)CCCCCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)CO)c3n2)cn1
InChIInChI=1S/C26H34N6O3.C25H31N7O2.C24H31FN6O4.C24H33N7O4S.C24H31N7O3.C23H31N7O3.C22H30N8O3.C22H30N8O2.C21H29N9O2.C21H27N7O3/c1-19(30-34)8-5-3-4-6-11-32-18-27-23-25(31-12-14-35-15-13-31)28-24(29-26(23)32)22-10-7-9-21(17-22)16-20(2)33;1-18(30-33)6-4-2-3-5-9-32-17-27-22-24(31-10-12-34-13-11-31)28-23(29-25(22)32)19-7-8-20-15-26-16-21(20)14-19;1-17(29-33)5-3-2-4-8-31-16-26-21-23(30-9-12-34-13-10-30)27-22(28-24(21)31)18-6-7-19(25)20(15-18)35-14-11-32;1-18(28-32)7-5-3-4-6-12-31-17-25-21-23(30-13-15-35-16-14-30)26-22(27-24(21)31)19-8-10-20(11-9-19)29-36(2,33)34;1-17(29-33)7-4-2-3-5-10-31-16-26-20-23(30-11-13-34-14-12-30)27-22(28-24(20)31)19-9-6-8-18(15-19)21(25)32;1-17(28-31)7-5-3-4-6-10-30-16-25-20-22(29-11-13-33-14-12-29)26-21(27-23(20)30)18-8-9-19(32-2)24-15-18;1-16(28-31)7-5-3-4-6-8-30-15-25-18-20(29-9-11-33-12-10-29)26-19(27-21(18)30)17-13-23-22(32-2)24-14-17;1-16(28-31)6-4-2-3-5-9-30-15-25-19-21(29-10-12-32-13-11-29)26-20(27-22(19)30)17-7-8-18(23)24-14-17;1-23-16(31)6-4-2-3-5-7-30-14-26-18-17(15-12-24-20(22)25-13-15)27-21(28-19(18)30)29-8-10-32-11-9-29;22-17-6-5-15(12-23-17)19-25-20(27-8-10-31-11-9-27)18-21(26-19)28(14-24-18)7-3-1-2-4-16(30)13-29/h7,9-10,17-18,30,34H,1,3-6,8,11-16H2,2H3;7-8,14-15,17,30,33H,1-6,9-13,16H2;6-7,15-16,29,32-33H,1-5,8-14H2;8-11,17,28-29,32H,1,3-7,12-16H2,2H3;6,8-9,15-16,29,33H,1-5,7,10-14H2,(H2,25,32);8-9,15-16,28,31H,1,3-7,10-14H2,2H3;13-15,28,31H,1,3-12H2,2H3;7-8,14-15,28,31H,1-6,9-13H2,(H2,23,24);12-14H,2-11H2,1H3,(H,23,31)(H2,22,24,25);5-6,12,14,29H,1-4,7-11,13H2,(H2,22,23)
InChIKeyHMMUZSSJFJCUIX-UHFFFAOYSA-N
XLogP27.84
TPSA1220.08 Ų
H-Bond Donors24
H-Bond Acceptors98
Rotatable Bonds107
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004619.55
LogP ≤ 527.84
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1098

Analyze 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-4-methoxybenzenesulfonamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;2-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(6-methylpurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 162196747
2-[3-[3-[[(2R,3S,4R,5R)-5-(6-amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-5-(2-anilino-6-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid
CID 167548291
2-[3-[3-[[(2R,3S,4R,5R)-5-(2-anilino-6-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methyl-2-phenylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]propanoyl]benzoic acid;2-[3-[3-[[(2R,3S,5R)-3-hydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methoxy]phenyl]propanoyl]benzoic acid
CID 167559114
CID 167582280
CID 167582280
4-[6-(2-aminopyrimidin-5-yl)-8-(diethylamino)-2-morpholin-4-ylpurin-9-yl]-N-methylbutanamide;1-[4-[[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]methyl]phenyl]-2-hydroxyethanone;4-[9-ethyl-8-[[[4-[(1E)-3-(hydroxyamino)buta-1,3-dienyl]phenyl]methyl-methylamino]methyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-hydroxy-7-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide
CID 157073860
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;methane;1-[(2S)-2-[8-methyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;4-[8-methyl-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[5-methyl-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 157077282
2,5-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 157222469
N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione
CID 157298674
(10E)-23-amino-3,6,19,21,24,25-hexazapentacyclo[17.5.2.113,17.02,6.022,26]heptacosa-1(24),2,4,10,13(27),14,16,22,25-nonaen-20-one;23-amino-3,6,19,21,24,25-hexazapentacyclo[17.5.2.113,17.02,6.022,26]heptacosa-1(24),2,4,13(27),14,16,22,25-octaen-20-one;17-amino-20-methyl-7,14-dioxa-1,5,10,16,19,22-hexazatetracyclo[13.5.2.23,6.018,21]tetracosa-3,5,15,17,19,21,23-heptaen-9-one;[(9E)-17-amino-20-methyl-1,14,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),9,15,17,19,21-octaen-13-yl]methanol;19-methyl-8-oxa-1,13,15,18,21-pentazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;19-methyl-13-oxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3,5,7(22),14,16,18,20-heptaen-16-amine
CID 157341097
7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide
CID 157347916
CID 157769151
CID 157769151
7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;N-methyl-10-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-9-oxodecanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione
CID 157926723

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
The IUPAC name of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine (CID 158523493) is 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine.
What is the SMILES notation for 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
The canonical SMILES for 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine is C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(NS(C)(=O)=O)cc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(OC)nc3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4c(c3)CN=C4)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(C(N)=O)c3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CC(C)=O)c3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cnc(OC)nc3)nc21)NO.C=C(CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(OCCO)c3)nc21)NO.CNC(=O)CCCCCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)CO)c3n2)cn1.
What is the InChIKey of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
The InChIKey is HMMUZSSJFJCUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3.C25H31N7O2.C24H31FN6O4.C24H33N7O4S.C24H31N7O3.C23H31N7O3.C22H30N8O3.C22H30N8O2.C21H29N9O2.C21H27N7O3/c1-19(30-34)8-5-3-4-6-11-32-18-27-23-25(31-12-14-35-15-13-31)28-24(29-26(23)32)22-10-7-9-21(17-22)16-20(2)33;1-18(30-33)6-4-2-3-5-9-32-17-27-22-24(31-10-12-34-13-11-31)28-23(29-25(22)32)19-7-8-20-15-26-16-21(20)14-19;1-17(29-33)5-3-2-4-8-31-16-26-21-23(30-9-12-34-13-10-30)27-22(28-24(21)31)18-6-7-19(25)20(15-18)35-14-11-32;1-18(28-32)7-5-3-4-6-12-31-17-25-21-23(30-13-15-35-16-14-30)26-22(27-24(21)31)19-8-10-20(11-9-19)29-36(2,33)34;1-17(29-33)7-4-2-3-5-10-31-16-26-20-23(30-11-13-34-14-12-30)27-22(28-24(20)31)19-9-6-8-18(15-19)21(25)32;1-17(28-31)7-5-3-4-6-10-30-16-25-20-22(29-11-13-33-14-12-29)26-21(27-23(20)30)18-8-9-19(32-2)24-15-18;1-16(28-31)7-5-3-4-6-8-30-15-25-18-20(29-9-11-33-12-10-29)26-19(27-21(18)30)17-13-23-22(32-2)24-14-17;1-16(28-31)6-4-2-3-5-9-30-15-25-19-21(29-10-12-32-13-11-29)26-20(27-22(19)30)17-7-8-18(23)24-14-17;1-23-16(31)6-4-2-3-5-7-30-14-26-18-17(15-12-24-20(22)25-13-15)27-21(28-19(18)30)29-8-10-32-11-9-29;22-17-6-5-15(12-23-17)19-25-20(27-8-10-31-11-9-27)18-21(26-19)28(14-24-18)7-3-1-2-4-16(30)13-29/h7,9-10,17-18,30,34H,1,3-6,8,11-16H2,2H3;7-8,14-15,17,30,33H,1-6,9-13,16H2;6-7,15-16,29,32-33H,1-5,8-14H2;8-11,17,28-29,32H,1,3-7,12-16H2,2H3;6,8-9,15-16,29,33H,1-5,7,10-14H2,(H2,25,32);8-9,15-16,28,31H,1,3-7,10-14H2,2H3;13-15,28,31H,1,3-12H2,2H3;7-8,14-15,28,31H,1-6,9-13H2,(H2,23,24);12-14H,2-11H2,1H3,(H,23,31)(H2,22,24,25);5-6,12,14,29H,1-4,7-11,13H2,(H2,22,23).
What are the key properties of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine has a molecular weight of 4619.55 g/mol, XLogP of 27.84, 107 rotatable bonds, 24 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;N-[8-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;7-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-N-methylheptanamide;2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-[4-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;1-[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]propan-2-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 158523493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).