C296H354N66O31 — CID 157479589
N,N-diethyl-3-propan-2-yloxy-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide;N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;N-(2-propan-2-yloxybutyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine;3-[2-[6-[(2R)-2-[(2-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;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;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine (PubChem CID 157479589) has the molecular formula C296H354N66O31 and a molecular weight of 5332.52 g/mol. Its IUPAC name is N,N-diethyl-3-propan-2-yloxy-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide;N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;N-(2-propan-2-yloxybutyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine;3-[2-[6-[(2R)-2-[(2-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;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;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine.
| Compound Name | N,N-diethyl-3-propan-2-yloxy-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide;N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;N-(2-propan-2-yloxybutyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine;3-[2-[6-[(2R)-2-[(2-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;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;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine |
|---|---|
| PubChem CID | 157479589 |
| Molecular Formula | C296H354N66O31 |
| Molecular Weight | 5332.52 g/mol |
| Exact Mass | 5328.82 |
| IUPAC Name | N,N-diethyl-3-propan-2-yloxy-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxamide;N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;N-(2-propan-2-yloxybutyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine;3-[2-[6-[(2R)-2-[(2-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;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;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine |
| SMILES | CC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(O)COC(C)C.CC(C)OC1CC(CNC(=O)c2cc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c3ccccc3n2)C1.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)OC[C@H]1CCCN1Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12.CC(C)Oc1ccc2cccc(NC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1.CC(C)Oc1ccc2ccccc2c1OC[C@H]1CCCN1c1ncnc2c1ncn2CCC1CCOC1=O.CCC(CN(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)C(C)=O)OC(C)C.CCN(CC)C(=O)c1cc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2cc1OC(C)C |
| InChI | InChI=1S/C30H38N6O3.C29H36N6O4.C29H36N6O2.C29H33N5O4.C28H33N7O3.C28H34N6O3.C26H31N7O3.C26H33N5O3.C25H29N7O3.C23H26N6O.C23H25N5O2/c1-5-24(39-20(2)3)16-35(21(4)37)15-22-12-13-27(26-11-7-6-10-25(22)26)38-17-23-9-8-14-36(23)30-28-29(32-18-31-28)33-19-34-30;1-19(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;1-20(2)36-16-22-7-5-13-34(22)15-21-11-12-26(25-10-4-3-9-24(21)25)37-17-23-8-6-14-35(23)29-27-28(31-18-30-27)32-19-33-29;1-19(2)38-24-10-9-20-6-3-4-8-23(20)26(24)37-16-22-7-5-13-34(22)28-25-27(30-17-31-28)33(18-32-25)14-11-21-12-15-36-29(21)35;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;1-5-33(6-2)28(35)22-13-19-9-7-11-23(21(19)14-24(22)37-18(3)4)36-15-20-10-8-12-34(20)27-25-26(30-16-29-25)31-17-32-27;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)30-18-9-8-16-5-3-7-20(19(16)11-18)24-12-17-6-4-10-29(17)23-21-22(26-13-25-21)27-14-28-23;1-15(2)30-18-9-8-16-5-3-7-20(19(16)11-18)29-12-17-6-4-10-28(17)23-21-22(25-13-24-21)26-14-27-23/h6-7,10-13,18-20,23-24H,5,8-9,14-17H2,1-4H3,(H,31,32,33,34);4-5,8-11,17-19,22-23,37H,6-7,12-16H2,1-3H3,(H,30,31,32,33);3-4,9-12,18-20,22-23H,5-8,13-17H2,1-2H3,(H,30,31,32,33);3-4,6,8-10,17-19,21-22H,5,7,11-16H2,1-2H3;3-4,7-8,12,15-20H,5-6,9-11,13-14H2,1-2H3,(H,29,36)(H,30,31,32,33);7,9,11,13-14,16-18,20H,5-6,8,10,12,15H2,1-4H3,(H,29,30,31,32);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);3,5,7-9,11,13-15,17,24H,4,6,10,12H2,1-2H3,(H,25,26,27,28);3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/b;;;;;;;13-12+;;;/t23-,24?;22-,23?;22-,23-;21?,22-;18?,19-,20?;20-;18-;21-;3*17-/m11111111111/s1 |
| InChIKey | BVZVHVFVXCDBAF-KZRYWDHTSA-N |
| XLogP | 47.10 |
| TPSA | 1083.44 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 81 |
| Rotatable Bonds | 101 |
| Heavy Atoms | 393 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5332.52 |
| LogP ≤ 5 | 47.10 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 81 |