4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine

C245H252Cl6F9N37O12 — CID 167711704

IUPAC4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESCC1CCCc2cccc(-c3ncc4c(N5CC6CCC(C6)C5)nc(OC[C@@H]5CCCN5C)nc4c3F)c21.CCC1CCC2(COc3nc(N4CC5CCC(C5)C4)c4cnc(-c5cccc6cccc(Cl)c56)c(F)c4n3)CCCN12.CN1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CO[C@H](C)COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.Cc1cccc(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)n1.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3C[C@H](F)C4)nc12.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OC[C@@H]3CCCO3)nc12.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OC[C@H]3CCCO3)nc12
InChIInChI=1S/C34H37ClFN5O.C32H32ClF2N5O.C32H30FN5O2.C31H38FN5O.C30H31ClFN5O.2C29H28ClFN4O2.C28H28ClFN4O2/c1-2-24-12-14-34(13-5-15-41(24)34)20-42-33-38-31-26(32(39-33)40-18-21-10-11-22(16-21)19-40)17-37-30(29(31)36)25-8-3-6-23-7-4-9-27(35)28(23)25;33-25-7-2-5-21-4-1-6-23(26(21)25)28-27(35)29-24(14-36-28)30(39-15-19-8-9-20(12-19)16-39)38-31(37-29)41-18-32-10-3-11-40(32)17-22(34)13-32;1-19-5-4-7-23(35-19)11-12-40-32-36-30-27(31(37-32)38-17-20-9-10-21(13-20)18-38)16-34-29(28(30)33)26-15-24(39)14-22-6-2-3-8-25(22)26;1-19-6-3-7-22-8-4-10-24(26(19)22)28-27(32)29-25(15-33-28)30(37-16-20-11-12-21(14-20)17-37)35-31(34-29)38-18-23-9-5-13-36(23)2;1-36-12-4-7-21(36)17-38-30-34-28-23(29(35-30)37-15-18-10-11-19(13-18)16-37)14-33-27(26(28)32)22-8-2-5-20-6-3-9-24(31)25(20)22;2*30-23-8-2-5-19-4-1-7-21(24(19)23)26-25(31)27-22(13-32-26)28(35-14-17-9-10-18(12-17)15-35)34-29(33-27)37-16-20-6-3-11-36-20;1-16(35-2)15-36-28-32-26-21(27(33-28)34-13-17-9-10-18(11-17)14-34)12-31-25(24(26)30)20-7-3-5-19-6-4-8-22(29)23(19)20/h3-4,6-9,17,21-22,24H,2,5,10-16,18-20H2,1H3;1-2,4-7,14,19-20,22H,3,8-13,15-18H2;2-8,14-16,20-21,39H,9-13,17-18H2,1H3;4,8,10,15,19-21,23H,3,5-7,9,11-14,16-18H2,1-2H3;2-3,5-6,8-9,14,18-19,21H,4,7,10-13,15-17H2,1H3;2*1-2,4-5,7-8,13,17-18,20H,3,6,9-12,14-16H2;3-8,12,16-18H,9-11,13-15H2,1-2H3/t;19?,20?,22-,32?;;19?,20?,21?,23-;18?,19?,21-;2*17?,18?,20-;16-,17?,18?/m.1.00101/s1
InChIKeyZYACVGGECIOREC-RMFSZFDVSA-N
MW4290.66 g/mol
LogP52.22
Rot. Bonds43

About 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine

4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine (PubChem CID 167711704) has the molecular formula C245H252Cl6F9N37O12 and a molecular weight of 4290.66 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine
PubChem CID167711704
Molecular FormulaC245H252Cl6F9N37O12
Molecular Weight4290.66 g/mol
Exact Mass4284.82
IUPAC Name4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESCC1CCCc2cccc(-c3ncc4c(N5CC6CCC(C6)C5)nc(OC[C@@H]5CCCN5C)nc4c3F)c21.CCC1CCC2(COc3nc(N4CC5CCC(C5)C4)c4cnc(-c5cccc6cccc(Cl)c56)c(F)c4n3)CCCN12.CN1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CO[C@H](C)COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.Cc1cccc(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)n1.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3C[C@H](F)C4)nc12.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OC[C@@H]3CCCO3)nc12.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OC[C@H]3CCCO3)nc12
InChIInChI=1S/C34H37ClFN5O.C32H32ClF2N5O.C32H30FN5O2.C31H38FN5O.C30H31ClFN5O.2C29H28ClFN4O2.C28H28ClFN4O2/c1-2-24-12-14-34(13-5-15-41(24)34)20-42-33-38-31-26(32(39-33)40-18-21-10-11-22(16-21)19-40)17-37-30(29(31)36)25-8-3-6-23-7-4-9-27(35)28(23)25;33-25-7-2-5-21-4-1-6-23(26(21)25)28-27(35)29-24(14-36-28)30(39-15-19-8-9-20(12-19)16-39)38-31(37-29)41-18-32-10-3-11-40(32)17-22(34)13-32;1-19-5-4-7-23(35-19)11-12-40-32-36-30-27(31(37-32)38-17-20-9-10-21(13-20)18-38)16-34-29(28(30)33)26-15-24(39)14-22-6-2-3-8-25(22)26;1-19-6-3-7-22-8-4-10-24(26(19)22)28-27(32)29-25(15-33-28)30(37-16-20-11-12-21(14-20)17-37)35-31(34-29)38-18-23-9-5-13-36(23)2;1-36-12-4-7-21(36)17-38-30-34-28-23(29(35-30)37-15-18-10-11-19(13-18)16-37)14-33-27(26(28)32)22-8-2-5-20-6-3-9-24(31)25(20)22;2*30-23-8-2-5-19-4-1-7-21(24(19)23)26-25(31)27-22(13-32-26)28(35-14-17-9-10-18(12-17)15-35)34-29(33-27)37-16-20-6-3-11-36-20;1-16(35-2)15-36-28-32-26-21(27(33-28)34-13-17-9-10-18(11-17)14-34)12-31-25(24(26)30)20-7-3-5-19-6-4-8-22(29)23(19)20/h3-4,6-9,17,21-22,24H,2,5,10-16,18-20H2,1H3;1-2,4-7,14,19-20,22H,3,8-13,15-18H2;2-8,14-16,20-21,39H,9-13,17-18H2,1H3;4,8,10,15,19-21,23H,3,5-7,9,11-14,16-18H2,1-2H3;2-3,5-6,8-9,14,18-19,21H,4,7,10-13,15-17H2,1H3;2*1-2,4-5,7-8,13,17-18,20H,3,6,9-12,14-16H2;3-8,12,16-18H,9-11,13-15H2,1-2H3/t;19?,20?,22-,32?;;19?,20?,21?,23-;18?,19?,21-;2*17?,18?,20-;16-,17?,18?/m.1.00101/s1
InChIKeyZYACVGGECIOREC-RMFSZFDVSA-N
XLogP52.22
TPSA482.89 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds43
Heavy Atoms309
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004290.66
LogP ≤ 552.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Analyze 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine with MolForge

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What is the IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine (CID 167711704) is 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine is CC1CCCc2cccc(-c3ncc4c(N5CC6CCC(C6)C5)nc(OC[C@@H]5CCCN5C)nc4c3F)c21.CCC1CCC2(COc3nc(N4CC5CCC(C5)C4)c4cnc(-c5cccc6cccc(Cl)c56)c(F)c4n3)CCCN12.CN1CCC[C@H]1COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.CO[C@H](C)COc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cccc4cccc(Cl)c34)c(F)c2n1.Cc1cccc(CCOc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc5ccccc45)c(F)c3n2)n1.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3C[C@H](F)C4)nc12.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OC[C@@H]3CCCO3)nc12.Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(N3CC4CCC(C4)C3)nc(OC[C@H]3CCCO3)nc12.
What is the InChIKey of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The InChIKey is ZYACVGGECIOREC-RMFSZFDVSA-N. The full InChI is InChI=1S/C34H37ClFN5O.C32H32ClF2N5O.C32H30FN5O2.C31H38FN5O.C30H31ClFN5O.2C29H28ClFN4O2.C28H28ClFN4O2/c1-2-24-12-14-34(13-5-15-41(24)34)20-42-33-38-31-26(32(39-33)40-18-21-10-11-22(16-21)19-40)17-37-30(29(31)36)25-8-3-6-23-7-4-9-27(35)28(23)25;33-25-7-2-5-21-4-1-6-23(26(21)25)28-27(35)29-24(14-36-28)30(39-15-19-8-9-20(12-19)16-39)38-31(37-29)41-18-32-10-3-11-40(32)17-22(34)13-32;1-19-5-4-7-23(35-19)11-12-40-32-36-30-27(31(37-32)38-17-20-9-10-21(13-20)18-38)16-34-29(28(30)33)26-15-24(39)14-22-6-2-3-8-25(22)26;1-19-6-3-7-22-8-4-10-24(26(19)22)28-27(32)29-25(15-33-28)30(37-16-20-11-12-21(14-20)17-37)35-31(34-29)38-18-23-9-5-13-36(23)2;1-36-12-4-7-21(36)17-38-30-34-28-23(29(35-30)37-15-18-10-11-19(13-18)16-37)14-33-27(26(28)32)22-8-2-5-20-6-3-9-24(31)25(20)22;2*30-23-8-2-5-19-4-1-7-21(24(19)23)26-25(31)27-22(13-32-26)28(35-14-17-9-10-18(12-17)15-35)34-29(33-27)37-16-20-6-3-11-36-20;1-16(35-2)15-36-28-32-26-21(27(33-28)34-13-17-9-10-18(11-17)14-34)12-31-25(24(26)30)20-7-3-5-19-6-4-8-22(29)23(19)20/h3-4,6-9,17,21-22,24H,2,5,10-16,18-20H2,1H3;1-2,4-7,14,19-20,22H,3,8-13,15-18H2;2-8,14-16,20-21,39H,9-13,17-18H2,1H3;4,8,10,15,19-21,23H,3,5-7,9,11-14,16-18H2,1-2H3;2-3,5-6,8-9,14,18-19,21H,4,7,10-13,15-17H2,1H3;2*1-2,4-5,7-8,13,17-18,20H,3,6,9-12,14-16H2;3-8,12,16-18H,9-11,13-15H2,1-2H3/t;19?,20?,22-,32?;;19?,20?,21?,23-;18?,19?,21-;2*17?,18?,20-;16-,17?,18?/m.1.00101/s1.
What are the key properties of 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine has a molecular weight of 4290.66 g/mol, XLogP of 52.22, 43 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-2-[(3-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[(2R)-2-methoxypropoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]pyrido[4,3-d]pyrimidine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[2-(6-methyl-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167711704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).