4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol

C253H263Cl2F8N41O16 — CID 167647023

IUPAC4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol
SMILESCC(C)N1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CC(Oc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1)C1CCCN1C.CN1CCC[C@H]1COc1nc(N2CC3CC(C2)[C@H](O)C3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.C[C@@H]1C[C@@H](COc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)N(C)C1.Cc1ccc(CCOc2nc(N3CC4C[C@H](C[C@H]4O)C3)c3cnc(-c4cccc5cccc(Cl)c45)c(F)c3n2)nc1.Cn1c(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)nc2ccccc21.Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCCN4CCCCC4)nc3c2F)c2ccccc2c1.Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCCN4C[C@H]5CCC4C5)nc3c2F)c2ccccc2c1
InChIInChI=1S/C34H31FN6O2.C32H29ClFN5O2.C32H35ClFN5O.C32H34FN5O2.3C31H34FN5O2.C30H32FN5O3/c1-40-28-9-5-4-8-27(28)37-29(40)12-13-43-34-38-32-26(33(39-34)41-18-20-10-11-21(14-20)19-41)17-36-31(30(32)35)25-16-23(42)15-22-6-2-3-7-24(22)25;1-18-8-9-22(35-14-18)10-11-41-32-37-30-24(31(38-32)39-16-19-12-21(17-39)26(40)13-19)15-36-29(28(30)34)23-6-2-4-20-5-3-7-25(33)27(20)23;1-19(2)39-13-5-8-23(39)18-40-32-36-30-25(31(37-32)38-16-20-11-12-21(14-20)17-38)15-35-29(28(30)34)24-9-3-6-22-7-4-10-26(33)27(22)24;33-28-29(26-14-24(39)13-22-3-1-2-4-25(22)26)34-15-27-30(28)35-32(40-10-9-37-16-21-7-8-23(37)12-21)36-31(27)38-17-19-5-6-20(11-19)18-38;1-18(26-8-5-11-36(26)2)39-31-34-29-25(30(35-31)37-16-19-9-10-20(12-19)17-37)15-33-28(27(29)32)24-14-22(38)13-21-6-3-4-7-23(21)24;1-18-9-22(36(2)14-18)17-39-31-34-29-26(30(35-31)37-15-19-7-8-20(10-19)16-37)13-33-28(27(29)32)25-12-23(38)11-21-5-3-4-6-24(21)25;32-27-28(25-16-23(38)15-22-6-2-3-7-24(22)25)33-17-26-29(27)34-31(39-13-12-36-10-4-1-5-11-36)35-30(26)37-18-20-8-9-21(14-20)19-37;1-35-8-4-6-20(35)16-39-30-33-28-24(29(34-30)36-14-17-9-19(15-36)25(38)10-17)13-32-27(26(28)31)23-12-21(37)11-18-5-2-3-7-22(18)23/h2-9,15-17,20-21,42H,10-14,18-19H2,1H3;2-9,14-15,19,21,26,40H,10-13,16-17H2,1H3;3-4,6-7,9-10,15,19-21,23H,5,8,11-14,16-18H2,1-2H3;1-4,13-15,19-21,23,39H,5-12,16-18H2;3-4,6-7,13-15,18-20,26,38H,5,8-12,16-17H2,1-2H3;3-6,11-13,18-20,22,38H,7-10,14-17H2,1-2H3;2-3,6-7,15-17,20-21,38H,1,4-5,8-14,18-19H2;2-3,5,7,11-13,17,19-20,25,37-38H,4,6,8-10,14-16H2,1H3/t;19-,21?,26-;20?,21?,23-;19?,20?,21-,23?;;18-,19?,20?,22+;;17?,19?,20-,25+/m.100.1.0/s1
InChIKeyQAHJHMYZQFZJDI-QLWFTQBDSA-N
MW4357.05 g/mol
LogP47.11
Rot. Bonds45

About 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol

4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol (PubChem CID 167647023) has the molecular formula C253H263Cl2F8N41O16 and a molecular weight of 4357.05 g/mol. Its IUPAC name is 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol
PubChem CID167647023
Molecular FormulaC253H263Cl2F8N41O16
Molecular Weight4357.05 g/mol
Exact Mass4353.03
IUPAC Name4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol
SMILESCC(C)N1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CC(Oc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1)C1CCCN1C.CN1CCC[C@H]1COc1nc(N2CC3CC(C2)[C@H](O)C3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.C[C@@H]1C[C@@H](COc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)N(C)C1.Cc1ccc(CCOc2nc(N3CC4C[C@H](C[C@H]4O)C3)c3cnc(-c4cccc5cccc(Cl)c45)c(F)c3n2)nc1.Cn1c(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)nc2ccccc21.Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCCN4CCCCC4)nc3c2F)c2ccccc2c1.Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCCN4C[C@H]5CCC4C5)nc3c2F)c2ccccc2c1
InChIInChI=1S/C34H31FN6O2.C32H29ClFN5O2.C32H35ClFN5O.C32H34FN5O2.3C31H34FN5O2.C30H32FN5O3/c1-40-28-9-5-4-8-27(28)37-29(40)12-13-43-34-38-32-26(33(39-34)41-18-20-10-11-21(14-20)19-41)17-36-31(30(32)35)25-16-23(42)15-22-6-2-3-7-24(22)25;1-18-8-9-22(35-14-18)10-11-41-32-37-30-24(31(38-32)39-16-19-12-21(17-39)26(40)13-19)15-36-29(28(30)34)23-6-2-4-20-5-3-7-25(33)27(20)23;1-19(2)39-13-5-8-23(39)18-40-32-36-30-25(31(37-32)38-16-20-11-12-21(14-20)17-38)15-35-29(28(30)34)24-9-3-6-22-7-4-10-26(33)27(22)24;33-28-29(26-14-24(39)13-22-3-1-2-4-25(22)26)34-15-27-30(28)35-32(40-10-9-37-16-21-7-8-23(37)12-21)36-31(27)38-17-19-5-6-20(11-19)18-38;1-18(26-8-5-11-36(26)2)39-31-34-29-25(30(35-31)37-16-19-9-10-20(12-19)17-37)15-33-28(27(29)32)24-14-22(38)13-21-6-3-4-7-23(21)24;1-18-9-22(36(2)14-18)17-39-31-34-29-26(30(35-31)37-15-19-7-8-20(10-19)16-37)13-33-28(27(29)32)25-12-23(38)11-21-5-3-4-6-24(21)25;32-27-28(25-16-23(38)15-22-6-2-3-7-24(22)25)33-17-26-29(27)34-31(39-13-12-36-10-4-1-5-11-36)35-30(26)37-18-20-8-9-21(14-20)19-37;1-35-8-4-6-20(35)16-39-30-33-28-24(29(34-30)36-14-17-9-19(15-36)25(38)10-17)13-32-27(26(28)31)23-12-21(37)11-18-5-2-3-7-22(18)23/h2-9,15-17,20-21,42H,10-14,18-19H2,1H3;2-9,14-15,19,21,26,40H,10-13,16-17H2,1H3;3-4,6-7,9-10,15,19-21,23H,5,8,11-14,16-18H2,1-2H3;1-4,13-15,19-21,23,39H,5-12,16-18H2;3-4,6-7,13-15,18-20,26,38H,5,8-12,16-17H2,1-2H3;3-6,11-13,18-20,22,38H,7-10,14-17H2,1-2H3;2-3,6-7,15-17,20-21,38H,1,4-5,8-14,18-19H2;2-3,5,7,11-13,17,19-20,25,37-38H,4,6,8-10,14-16H2,1H3/t;19-,21?,26-;20?,21?,23-;19?,20?,21-,23?;;18-,19?,20?,22+;;17?,19?,20-,25+/m.100.1.0/s1
InChIKeyQAHJHMYZQFZJDI-QLWFTQBDSA-N
XLogP47.11
TPSA621.11 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds45
Heavy Atoms320
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004357.05
LogP ≤ 547.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

Analyze 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol with MolForge

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What is the IUPAC name of 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol (CID 167647023) is 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol is CC(C)N1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CC(Oc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1)C1CCCN1C.CN1CCC[C@H]1COc1nc(N2CC3CC(C2)[C@H](O)C3)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.C[C@@H]1C[C@@H](COc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)N(C)C1.Cc1ccc(CCOc2nc(N3CC4C[C@H](C[C@H]4O)C3)c3cnc(-c4cccc5cccc(Cl)c45)c(F)c3n2)nc1.Cn1c(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)nc2ccccc21.Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCCN4CCCCC4)nc3c2F)c2ccccc2c1.Oc1cc(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCCN4C[C@H]5CCC4C5)nc3c2F)c2ccccc2c1.
What is the InChIKey of 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is QAHJHMYZQFZJDI-QLWFTQBDSA-N. The full InChI is InChI=1S/C34H31FN6O2.C32H29ClFN5O2.C32H35ClFN5O.C32H34FN5O2.3C31H34FN5O2.C30H32FN5O3/c1-40-28-9-5-4-8-27(28)37-29(40)12-13-43-34-38-32-26(33(39-34)41-18-20-10-11-21(14-20)19-41)17-36-31(30(32)35)25-16-23(42)15-22-6-2-3-7-24(22)25;1-18-8-9-22(35-14-18)10-11-41-32-37-30-24(31(38-32)39-16-19-12-21(17-39)26(40)13-19)15-36-29(28(30)34)23-6-2-4-20-5-3-7-25(33)27(20)23;1-19(2)39-13-5-8-23(39)18-40-32-36-30-25(31(37-32)38-16-20-11-12-21(14-20)17-38)15-35-29(28(30)34)24-9-3-6-22-7-4-10-26(33)27(22)24;33-28-29(26-14-24(39)13-22-3-1-2-4-25(22)26)34-15-27-30(28)35-32(40-10-9-37-16-21-7-8-23(37)12-21)36-31(27)38-17-19-5-6-20(11-19)18-38;1-18(26-8-5-11-36(26)2)39-31-34-29-25(30(35-31)37-16-19-9-10-20(12-19)17-37)15-33-28(27(29)32)24-14-22(38)13-21-6-3-4-7-23(21)24;1-18-9-22(36(2)14-18)17-39-31-34-29-26(30(35-31)37-15-19-7-8-20(10-19)16-37)13-33-28(27(29)32)25-12-23(38)11-21-5-3-4-6-24(21)25;32-27-28(25-16-23(38)15-22-6-2-3-7-24(22)25)33-17-26-29(27)34-31(39-13-12-36-10-4-1-5-11-36)35-30(26)37-18-20-8-9-21(14-20)19-37;1-35-8-4-6-20(35)16-39-30-33-28-24(29(34-30)36-14-17-9-19(15-36)25(38)10-17)13-32-27(26(28)31)23-12-21(37)11-18-5-2-3-7-22(18)23/h2-9,15-17,20-21,42H,10-14,18-19H2,1H3;2-9,14-15,19,21,26,40H,10-13,16-17H2,1H3;3-4,6-7,9-10,15,19-21,23H,5,8,11-14,16-18H2,1-2H3;1-4,13-15,19-21,23,39H,5-12,16-18H2;3-4,6-7,13-15,18-20,26,38H,5,8-12,16-17H2,1-2H3;3-6,11-13,18-20,22,38H,7-10,14-17H2,1-2H3;2-3,6-7,15-17,20-21,38H,1,4-5,8-14,18-19H2;2-3,5,7,11-13,17,19-20,25,37-38H,4,6,8-10,14-16H2,1H3/t;19-,21?,26-;20?,21?,23-;19?,20?,21-,23?;;18-,19?,20?,22+;;17?,19?,20-,25+/m.100.1.0/s1.
What are the key properties of 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol?
4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 4357.05 g/mol, XLogP of 47.11, 45 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]-4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(1-methylbenzimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-piperidin-1-ylethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[2-(5-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol;(6R)-3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 167647023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).