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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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

C214H251N45O24 — CID 157471376

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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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
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)OC[C@H]1CCCN1Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4c3ncn4CCC(N)=O)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)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.C28H34N6O3.C27H29N5O4.C26H30N6O3.2C23H25N5O2/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;1-5-33(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)35-20-9-8-18-5-3-7-22(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;2*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);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;3,5,7-9,13,15-17,19H,4,6,10-12,14H2,1-2H3,(H2,27,33);2*3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/t2*22-,23?;22-,23-;20-;19?,20-;19-;2*17-/m11111111/s1
InChIKeyBVBRDFXESRIKJP-PGAUGQIBSA-N
MW3837.65 g/mol
LogP33.50
Rot. Bonds69

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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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,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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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 (PubChem CID 157471376) has the molecular formula C214H251N45O24 and a molecular weight of 3837.65 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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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.

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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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
PubChem CID157471376
Molecular FormulaC214H251N45O24
Molecular Weight3837.65 g/mol
Exact Mass3834.98
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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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
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)OC[C@H]1CCCN1Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4c3ncn4CCC(N)=O)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)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.C28H34N6O3.C27H29N5O4.C26H30N6O3.2C23H25N5O2/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;1-5-33(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)35-20-9-8-18-5-3-7-22(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;2*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);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;3,5,7-9,13,15-17,19H,4,6,10-12,14H2,1-2H3,(H2,27,33);2*3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/t2*22-,23?;22-,23-;20-;19?,20-;19-;2*17-/m11111111/s1
InChIKeyBVBRDFXESRIKJP-PGAUGQIBSA-N
XLogP33.50
TPSA761.58 Ų
H-Bond Donors9
H-Bond Acceptors59
Rotatable Bonds69
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003837.65
LogP ≤ 533.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1059

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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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 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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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?
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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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 (CID 157471376) 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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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.
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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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?
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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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 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)OC[C@H]1CCCN1Cc1ccc(OC[C@H]2CCCN2c2ncnc3nc[nH]c23)c2ccccc12.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4c3ncn4CCC(N)=O)c2c1.CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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?
The InChIKey is BVBRDFXESRIKJP-PGAUGQIBSA-N. The full InChI is InChI=1S/2C29H36N6O4.C29H36N6O2.C28H34N6O3.C27H29N5O4.C26H30N6O3.2C23H25N5O2/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;1-5-33(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)35-20-9-8-18-5-3-7-22(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;2*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);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;3,5,7-9,13,15-17,19H,4,6,10-12,14H2,1-2H3,(H2,27,33);2*3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/t2*22-,23?;22-,23-;20-;19?,20-;19-;2*17-/m11111111/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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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,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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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 has a molecular weight of 3837.65 g/mol, XLogP of 33.50, 69 rotatable bonds, 9 hydrogen bond donors, and 59 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;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;bis(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 is sourced from PubChem (CID 157471376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).