N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one

C207H245N49O24 — CID 158630343

IUPACN-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one
SMILESCC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(O)COC(C)C.CC(C)OC(C)CNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)OC1CC(CNC(=O)c2cc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c3ccccc3n2)C1.CC(C)OC=C1CCc2c(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)cccc2C1=O.CC(C)OCCCCC(=O)/C=C/c1ccccc1OC[C@H]1CCCN1c1ncnc2nc[nH]c12.CC(C)OCCCNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)OCCNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)O[C@@H]1C[C@H](COc2cccc3ccccc23)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C29H36N6O4.C28H33N7O3.2C26H31N7O3.C26H33N5O3.C25H29N7O3.C24H27N5O3.C23H25N5O2/c1-19(2)38-16-23(37)14-34(20(3)36)13-21-10-11-26(25-9-5-4-8-24(21)25)39-15-22-7-6-12-35(22)29-27-28(31-17-30-27)32-18-33-29;1-17(2)38-20-10-18(11-20)13-29-28(36)23-12-24(21-7-3-4-8-22(21)34-23)37-14-19-6-5-9-35(19)27-25-26(31-15-30-25)32-16-33-27;1-16(2)36-17(3)12-27-26(34)21-11-22(19-8-4-5-9-20(19)32-21)35-13-18-7-6-10-33(18)25-23-24(29-14-28-23)30-15-31-25;1-17(2)35-12-6-10-27-26(34)21-13-22(19-8-3-4-9-20(19)32-21)36-14-18-7-5-11-33(18)25-23-24(29-15-28-23)30-16-31-25;1-19(2)33-15-6-5-10-22(32)13-12-20-8-3-4-11-23(20)34-16-21-9-7-14-31(21)26-24-25(28-17-27-24)29-18-30-26;1-16(2)34-11-9-26-25(33)20-12-21(18-7-3-4-8-19(18)31-20)35-13-17-6-5-10-32(17)24-22-23(28-14-27-22)29-15-30-24;1-15(2)31-11-16-8-9-18-19(22(16)30)6-3-7-20(18)32-12-17-5-4-10-29(17)24-21-23(26-13-25-21)27-14-28-24;1-15(2)30-18-10-17(12-29-20-9-5-7-16-6-3-4-8-19(16)20)28(11-18)23-21-22(25-13-24-21)26-14-27-23/h4-5,8-11,17-19,22-23,37H,6-7,12-16H2,1-3H3,(H,30,31,32,33);3-4,7-8,12,15-20H,5-6,9-11,13-14H2,1-2H3,(H,29,36)(H,30,31,32,33);4-5,8-9,11,14-18H,6-7,10,12-13H2,1-3H3,(H,27,34)(H,28,29,30,31);3-4,8-9,13,15-18H,5-7,10-12,14H2,1-2H3,(H,27,34)(H,28,29,30,31);3-4,8,11-13,17-19,21H,5-7,9-10,14-16H2,1-2H3,(H,27,28,29,30);3-4,7-8,12,14-17H,5-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28,29,30);3,6-7,11,13-15,17H,4-5,8-10,12H2,1-2H3,(H,25,26,27,28);3-9,13-15,17-18H,10-12H2,1-2H3,(H,24,25,26,27)/b;;;;13-12+;;;/t22-,23?;18?,19-,20?;17?,18-;18-;21-;2*17-;17-,18-/m11111111/s1
InChIKeyHZCPDZVIKRFECG-NVNWKIPQSA-N
MW3803.56 g/mol
LogP30.03
Rot. Bonds72

About N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one

N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one (PubChem CID 158630343) has the molecular formula C207H245N49O24 and a molecular weight of 3803.56 g/mol. Its IUPAC name is N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one.

Molecular Properties

Compound NameN-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one
PubChem CID158630343
Molecular FormulaC207H245N49O24
Molecular Weight3803.56 g/mol
Exact Mass3800.95
IUPAC NameN-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one
SMILESCC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(O)COC(C)C.CC(C)OC(C)CNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)OC1CC(CNC(=O)c2cc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c3ccccc3n2)C1.CC(C)OC=C1CCc2c(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)cccc2C1=O.CC(C)OCCCCC(=O)/C=C/c1ccccc1OC[C@H]1CCCN1c1ncnc2nc[nH]c12.CC(C)OCCCNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)OCCNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)O[C@@H]1C[C@H](COc2cccc3ccccc23)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C29H36N6O4.C28H33N7O3.2C26H31N7O3.C26H33N5O3.C25H29N7O3.C24H27N5O3.C23H25N5O2/c1-19(2)38-16-23(37)14-34(20(3)36)13-21-10-11-26(25-9-5-4-8-24(21)25)39-15-22-7-6-12-35(22)29-27-28(31-17-30-27)32-18-33-29;1-17(2)38-20-10-18(11-20)13-29-28(36)23-12-24(21-7-3-4-8-22(21)34-23)37-14-19-6-5-9-35(19)27-25-26(31-15-30-25)32-16-33-27;1-16(2)36-17(3)12-27-26(34)21-11-22(19-8-4-5-9-20(19)32-21)35-13-18-7-6-10-33(18)25-23-24(29-14-28-23)30-15-31-25;1-17(2)35-12-6-10-27-26(34)21-13-22(19-8-3-4-9-20(19)32-21)36-14-18-7-5-11-33(18)25-23-24(29-15-28-23)30-16-31-25;1-19(2)33-15-6-5-10-22(32)13-12-20-8-3-4-11-23(20)34-16-21-9-7-14-31(21)26-24-25(28-17-27-24)29-18-30-26;1-16(2)34-11-9-26-25(33)20-12-21(18-7-3-4-8-19(18)31-20)35-13-17-6-5-10-32(17)24-22-23(28-14-27-22)29-15-30-24;1-15(2)31-11-16-8-9-18-19(22(16)30)6-3-7-20(18)32-12-17-5-4-10-29(17)24-21-23(26-13-25-21)27-14-28-24;1-15(2)30-18-10-17(12-29-20-9-5-7-16-6-3-4-8-19(16)20)28(11-18)23-21-22(25-13-24-21)26-14-27-23/h4-5,8-11,17-19,22-23,37H,6-7,12-16H2,1-3H3,(H,30,31,32,33);3-4,7-8,12,15-20H,5-6,9-11,13-14H2,1-2H3,(H,29,36)(H,30,31,32,33);4-5,8-9,11,14-18H,6-7,10,12-13H2,1-3H3,(H,27,34)(H,28,29,30,31);3-4,8-9,13,15-18H,5-7,10-12,14H2,1-2H3,(H,27,34)(H,28,29,30,31);3-4,8,11-13,17-19,21H,5-7,9-10,14-16H2,1-2H3,(H,27,28,29,30);3-4,7-8,12,14-17H,5-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28,29,30);3,6-7,11,13-15,17H,4-5,8-10,12H2,1-2H3,(H,25,26,27,28);3-9,13-15,17-18H,10-12H2,1-2H3,(H,24,25,26,27)/b;;;;13-12+;;;/t22-,23?;18?,19-,20?;17?,18-;18-;21-;2*17-;17-,18-/m11111111/s1
InChIKeyHZCPDZVIKRFECG-NVNWKIPQSA-N
XLogP30.03
TPSA851.92 Ų
H-Bond Donors13
H-Bond Acceptors60
Rotatable Bonds72
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003803.56
LogP ≤ 530.03
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one with MolForge

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Related Compounds

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
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-methoxy-2-phenylpurin-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]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 167589127
1-[2-[5-[10-[2-[1-[1-hydroxy-2-[[hydroxy(methoxy)methyl]amino]-3-methylbutyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-[[hydroxy(methoxy)methyl]amino]-3-methylbutan-1-one
CID 123830535
N-[3-[1-[6-[(2R)-2-[[2-[(3-propan-2-yloxycyclobutyl)methylcarbamoyl]quinolin-4-yl]oxymethyl]pyrrolidin-1-yl]purin-9-yl]propan-2-yloxy]propyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide
CID 138648854
N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 157054604
4-[[5-(2-amino-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;N,3-dimethyl-4-[[4-(oxan-4-yloxy)-5-(3H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157126081
CID 157140028
CID 157140028
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588
CID 157184695
CID 157184695
N-(2-aminoethyl)-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-(2-methoxyphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157231911
(5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione
CID 157243113

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one?
The IUPAC name of N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one (CID 158630343) is N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one.
What is the SMILES notation for N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one?
The canonical SMILES for N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one is CC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(O)COC(C)C.CC(C)OC(C)CNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)OC1CC(CNC(=O)c2cc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c3ccccc3n2)C1.CC(C)OC=C1CCc2c(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)cccc2C1=O.CC(C)OCCCCC(=O)/C=C/c1ccccc1OC[C@H]1CCCN1c1ncnc2nc[nH]c12.CC(C)OCCCNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)OCCNC(=O)c1cc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc2n1.CC(C)O[C@@H]1C[C@H](COc2cccc3ccccc23)N(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one?
The InChIKey is HZCPDZVIKRFECG-NVNWKIPQSA-N. The full InChI is InChI=1S/C29H36N6O4.C28H33N7O3.2C26H31N7O3.C26H33N5O3.C25H29N7O3.C24H27N5O3.C23H25N5O2/c1-19(2)38-16-23(37)14-34(20(3)36)13-21-10-11-26(25-9-5-4-8-24(21)25)39-15-22-7-6-12-35(22)29-27-28(31-17-30-27)32-18-33-29;1-17(2)38-20-10-18(11-20)13-29-28(36)23-12-24(21-7-3-4-8-22(21)34-23)37-14-19-6-5-9-35(19)27-25-26(31-15-30-25)32-16-33-27;1-16(2)36-17(3)12-27-26(34)21-11-22(19-8-4-5-9-20(19)32-21)35-13-18-7-6-10-33(18)25-23-24(29-14-28-23)30-15-31-25;1-17(2)35-12-6-10-27-26(34)21-13-22(19-8-3-4-9-20(19)32-21)36-14-18-7-5-11-33(18)25-23-24(29-15-28-23)30-16-31-25;1-19(2)33-15-6-5-10-22(32)13-12-20-8-3-4-11-23(20)34-16-21-9-7-14-31(21)26-24-25(28-17-27-24)29-18-30-26;1-16(2)34-11-9-26-25(33)20-12-21(18-7-3-4-8-19(18)31-20)35-13-17-6-5-10-32(17)24-22-23(28-14-27-22)29-15-30-24;1-15(2)31-11-16-8-9-18-19(22(16)30)6-3-7-20(18)32-12-17-5-4-10-29(17)24-21-23(26-13-25-21)27-14-28-24;1-15(2)30-18-10-17(12-29-20-9-5-7-16-6-3-4-8-19(16)20)28(11-18)23-21-22(25-13-24-21)26-14-27-23/h4-5,8-11,17-19,22-23,37H,6-7,12-16H2,1-3H3,(H,30,31,32,33);3-4,7-8,12,15-20H,5-6,9-11,13-14H2,1-2H3,(H,29,36)(H,30,31,32,33);4-5,8-9,11,14-18H,6-7,10,12-13H2,1-3H3,(H,27,34)(H,28,29,30,31);3-4,8-9,13,15-18H,5-7,10-12,14H2,1-2H3,(H,27,34)(H,28,29,30,31);3-4,8,11-13,17-19,21H,5-7,9-10,14-16H2,1-2H3,(H,27,28,29,30);3-4,7-8,12,14-17H,5-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28,29,30);3,6-7,11,13-15,17H,4-5,8-10,12H2,1-2H3,(H,25,26,27,28);3-9,13-15,17-18H,10-12H2,1-2H3,(H,24,25,26,27)/b;;;;13-12+;;;/t22-,23?;18?,19-,20?;17?,18-;18-;21-;2*17-;17-,18-/m11111111/s1.
What are the key properties of N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one?
N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one has a molecular weight of 3803.56 g/mol, XLogP of 30.03, 72 rotatable bonds, 13 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one is sourced from PubChem (CID 158630343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).