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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine

C268H316N60O29 — CID 158886757

IUPACN,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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine
SMILESCC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(CO)OC(C)C.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)OCCCNC(=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]3CCCN3c3ncnc4c3ncn4CCC(N)=O)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1.CCN(CC)C(=O)c1cc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2cc1OC(C)C.COc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4c3ncn4CCC3CCOC3=O)c2c1
InChIInChI=1S/2C29H36N6O4.C29H36N6O2.C28H33N7O3.C28H34N6O3.C27H29N5O4.C26H31N7O3.C26H30N6O3.C23H26N6O.C23H25N5O2/c1-19(2)39-23(15-36)14-34(20(3)37)13-21-10-11-26(25-9-5-4-8-24(21)25)38-16-22-7-6-12-35(22)29-27-28(31-17-30-27)32-18-33-29;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;1-17(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;1-34-21-8-7-18-4-2-6-23(22(18)14-21)36-15-20-5-3-11-32(20)26-24-25(28-16-29-26)31(17-30-24)12-9-19-10-13-35-27(19)33;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;1-17(2)35-20-9-8-18-5-3-7-22(21(18)13-20)34-14-19-6-4-11-32(19)26-24-25(28-15-29-26)31(16-30-24)12-10-23(27)33;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/h4-5,8-11,17-19,22-23,36H,6-7,12-16H2,1-3H3,(H,30,31,32,33);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);3-4,7-8,12,15-20H,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);2,4,6-8,14,16-17,19-20H,3,5,9-13,15H2,1H3;3-4,8-9,13,15-18H,5-7,10-12,14H2,1-2H3,(H,27,34)(H,28,29,30,31);3,5,7-9,13,15-17,19H,4,6,10-12,14H2,1-2H3,(H2,27,33);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)/t2*22-,23?;22-,23-;18?,19-,20?;20-;19?,20-;18-;19-;2*17-/m1111111111/s1
InChIKeyJDSNUIASPYODJA-HMXSSKDQSA-N
MW4841.87 g/mol
LogP40.91
Rot. Bonds88

About 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine

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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine (PubChem CID 158886757) has the molecular formula C268H316N60O29 and a molecular weight of 4841.87 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine
PubChem CID158886757
Molecular FormulaC268H316N60O29
Molecular Weight4841.87 g/mol
Exact Mass4838.51
IUPAC NameN,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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine
SMILESCC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(CO)OC(C)C.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)OCCCNC(=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]3CCCN3c3ncnc4c3ncn4CCC(N)=O)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1.CCN(CC)C(=O)c1cc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2cc1OC(C)C.COc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4c3ncn4CCC3CCOC3=O)c2c1
InChIInChI=1S/2C29H36N6O4.C29H36N6O2.C28H33N7O3.C28H34N6O3.C27H29N5O4.C26H31N7O3.C26H30N6O3.C23H26N6O.C23H25N5O2/c1-19(2)39-23(15-36)14-34(20(3)37)13-21-10-11-26(25-9-5-4-8-24(21)25)38-16-22-7-6-12-35(22)29-27-28(31-17-30-27)32-18-33-29;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;1-17(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;1-34-21-8-7-18-4-2-6-23(22(18)14-21)36-15-20-5-3-11-32(20)26-24-25(28-16-29-26)31(17-30-24)12-9-19-10-13-35-27(19)33;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;1-17(2)35-20-9-8-18-5-3-7-22(21(18)13-20)34-14-19-6-4-11-32(19)26-24-25(28-15-29-26)31(16-30-24)12-10-23(27)33;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/h4-5,8-11,17-19,22-23,36H,6-7,12-16H2,1-3H3,(H,30,31,32,33);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);3-4,7-8,12,15-20H,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);2,4,6-8,14,16-17,19-20H,3,5,9-13,15H2,1H3;3-4,8-9,13,15-18H,5-7,10-12,14H2,1-2H3,(H,27,34)(H,28,29,30,31);3,5,7-9,13,15-17,19H,4,6,10-12,14H2,1-2H3,(H2,27,33);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)/t2*22-,23?;22-,23-;18?,19-,20?;20-;19?,20-;18-;19-;2*17-/m1111111111/s1
InChIKeyJDSNUIASPYODJA-HMXSSKDQSA-N
XLogP40.91
TPSA1000.68 Ų
H-Bond Donors14
H-Bond Acceptors75
Rotatable Bonds88
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004841.87
LogP ≤ 540.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1075

Analyze 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine?
The IUPAC name of 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine (CID 158886757) 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine.
What is the SMILES notation for 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine?
The canonical SMILES for 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine is CC(=O)N(Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12)CC(CO)OC(C)C.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)OCCCNC(=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]3CCCN3c3ncnc4c3ncn4CCC(N)=O)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1.CCN(CC)C(=O)c1cc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2cc1OC(C)C.COc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4c3ncn4CCC3CCOC3=O)c2c1.
What is the InChIKey of 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine?
The InChIKey is JDSNUIASPYODJA-HMXSSKDQSA-N. The full InChI is InChI=1S/2C29H36N6O4.C29H36N6O2.C28H33N7O3.C28H34N6O3.C27H29N5O4.C26H31N7O3.C26H30N6O3.C23H26N6O.C23H25N5O2/c1-19(2)39-23(15-36)14-34(20(3)37)13-21-10-11-26(25-9-5-4-8-24(21)25)38-16-22-7-6-12-35(22)29-27-28(31-17-30-27)32-18-33-29;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;1-17(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;1-34-21-8-7-18-4-2-6-23(22(18)14-21)36-15-20-5-3-11-32(20)26-24-25(28-16-29-26)31(17-30-24)12-9-19-10-13-35-27(19)33;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;1-17(2)35-20-9-8-18-5-3-7-22(21(18)13-20)34-14-19-6-4-11-32(19)26-24-25(28-15-29-26)31(16-30-24)12-10-23(27)33;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/h4-5,8-11,17-19,22-23,36H,6-7,12-16H2,1-3H3,(H,30,31,32,33);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);3-4,7-8,12,15-20H,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);2,4,6-8,14,16-17,19-20H,3,5,9-13,15H2,1H3;3-4,8-9,13,15-18H,5-7,10-12,14H2,1-2H3,(H,27,34)(H,28,29,30,31);3,5,7-9,13,15-17,19H,4,6,10-12,14H2,1-2H3,(H2,27,33);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)/t2*22-,23?;22-,23-;18?,19-,20?;20-;19?,20-;18-;19-;2*17-/m1111111111/s1.
What are the key properties of 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine?
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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine has a molecular weight of 4841.87 g/mol, XLogP of 40.91, 88 rotatable bonds, 14 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;3-[2-[6-[(2R)-2-[(7-methoxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]ethyl]oxolan-2-one;N-[(3-propan-2-yloxycyclobutyl)methyl]-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-[6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]purin-9-yl]propanamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;7-propan-2-yloxy-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]naphthalen-1-amine is sourced from PubChem (CID 158886757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).