4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine

C213H241ClF8N46O8S6 — CID 167614655

About 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 167614655) has the molecular formula C213H241ClF8N46O8S6 and a molecular weight of 3953.42 g/mol. Its IUPAC name is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine
• PubChem CID: 167614655
• Molecular Formula: C213H241ClF8N46O8S6
• Molecular Weight: 3953.42 g/mol
• Exact Mass: 3949.78
• IUPAC Name: 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine
• SMILES: C[C@H]1CN2CCC[C@@]2(COc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc(Cl)c4[C@@H]4C[C@H]4C)c(F)c3n2)C1.Cc1cc2sc(N)nc2c(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C.Cc1cc2sc(N)nc2c(-c2ncc3c(N4CC5CCC(C5)C4)nc(OC[C@@]45CCCN4C[C@H](C)C5)nc3c2F)c1C.Cc1ccc2sc(N)nc2c1-c1ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3CCC4)nc2c1F.Fc1c(-c2cccc3scnc23)ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3CCC4)nc12.Nc1nc2c(-c3ncc4c(N5CC6CCC(C6)C5)nc(OCC56CCCN5CCC6)nc4c3F)ccc(F)c2s1.Nc1nc2c(-c3ncc4c(N5CC6CCC(C6)C5)nc(OCC56CCCN5CCC6)nc4c3F)cccc2s1
• InChI: InChI=1S/C33H39ClFN5O2.C32H38FN7OS.C31H36FN7OS.C30H34FN7OS.C29H31F2N7OS.C29H32FN7OS.C29H31FN6OS/c1-18-12-33(6-3-7-40(33)14-18)17-42-32-37-30-25(31(38-32)39-15-20-4-5-21(9-20)16-39)13-36-29(28(30)35)24-10-22(41)11-26(34)27(24)23-8-19(23)2;1-17-11-32(7-4-8-40(32)13-17)16-41-31-37-26-22(29(38-31)39-14-20-5-6-21(10-20)15-39)12-35-28(25(26)33)24-19(3)18(2)9-23-27(24)36-30(34)42-23;1-17-11-22-26(35-29(33)41-22)23(18(17)2)27-24(32)25-21(13-34-27)28(38-14-19-5-6-20(12-19)15-38)37-30(36-25)40-16-31-7-3-9-39(31)10-4-8-31;1-17-4-7-21-25(34-28(32)40-21)22(17)26-23(31)24-20(13-33-26)27(37-14-18-5-6-19(12-18)15-37)36-29(35-24)39-16-30-8-2-10-38(30)11-3-9-30;30-20-6-5-18(24-25(20)40-27(32)34-24)22-21(31)23-19(12-33-22)26(37-13-16-3-4-17(11-16)14-37)36-28(35-23)39-15-29-7-1-9-38(29)10-2-8-29;30-22-24(19-4-1-5-21-23(19)33-27(31)39-21)32-13-20-25(22)34-28(38-16-29-8-2-10-37(29)11-3-9-29)35-26(20)36-14-17-6-7-18(12-17)15-36;30-23-25(20-4-1-5-22-24(20)32-17-38-22)31-13-21-26(23)33-28(37-16-29-8-2-10-36(29)11-3-9-29)34-27(21)35-14-18-6-7-19(12-18)15-35/h10-11,13,18-21,23,41H,3-9,12,14-17H2,1-2H3;9,12,17,20-21H,4-8,10-11,13-16H2,1-3H3,(H2,34,36);11,13,19-20H,3-10,12,14-16H2,1-2H3,(H2,33,35);4,7,13,18-19H,2-3,5-6,8-12,14-16H2,1H3,(H2,32,34);5-6,12,16-17H,1-4,7-11,13-15H2,(H2,32,34);1,4-5,13,17-18H,2-3,6-12,14-16H2,(H2,31,33);1,4-5,13,17-19H,2-3,6-12,14-16H2/t18-,19-,20?,21?,23-,33+;17-,20?,21?,32+;;;;;/m11...../s1
• InChIKey: LOKPAWRQLMHUCF-PHBRYSLZSA-N
• XLogP: 40.75
• TPSA: 608.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 60
• Rotatable Bonds: 36
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3953.42
LogP ≤ 5	40.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine?

The IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine (CID 167614655) is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine.

What is the SMILES notation for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine?

The canonical SMILES for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine is C[C@H]1CN2CCC[C@@]2(COc2nc(N3CC4CCC(C4)C3)c3cnc(-c4cc(O)cc(Cl)c4[C@@H]4C[C@H]4C)c(F)c3n2)C1.Cc1cc2sc(N)nc2c(-c2ncc3c(N4CC5CCC(C5)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C.Cc1cc2sc(N)nc2c(-c2ncc3c(N4CC5CCC(C5)C4)nc(OC[C@@]45CCCN4C[C@H](C)C5)nc3c2F)c1C.Cc1ccc2sc(N)nc2c1-c1ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3CCC4)nc2c1F.Fc1c(-c2cccc3scnc23)ncc2c(N3CC4CCC(C4)C3)nc(OCC34CCCN3CCC4)nc12.Nc1nc2c(-c3ncc4c(N5CC6CCC(C6)C5)nc(OCC56CCCN5CCC6)nc4c3F)ccc(F)c2s1.Nc1nc2c(-c3ncc4c(N5CC6CCC(C6)C5)nc(OCC56CCCN5CCC6)nc4c3F)cccc2s1.

What is the InChIKey of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine?

The InChIKey is LOKPAWRQLMHUCF-PHBRYSLZSA-N. The full InChI is InChI=1S/C33H39ClFN5O2.C32H38FN7OS.C31H36FN7OS.C30H34FN7OS.C29H31F2N7OS.C29H32FN7OS.C29H31FN6OS/c1-18-12-33(6-3-7-40(33)14-18)17-42-32-37-30-25(31(38-32)39-15-20-4-5-21(9-20)16-39)13-36-29(28(30)35)24-10-22(41)11-26(34)27(24)23-8-19(23)2;1-17-11-32(7-4-8-40(32)13-17)16-41-31-37-26-22(29(38-31)39-14-20-5-6-21(10-20)15-39)12-35-28(25(26)33)24-19(3)18(2)9-23-27(24)36-30(34)42-23;1-17-11-22-26(35-29(33)41-22)23(18(17)2)27-24(32)25-21(13-34-27)28(38-14-19-5-6-20(12-19)15-38)37-30(36-25)40-16-31-7-3-9-39(31)10-4-8-31;1-17-4-7-21-25(34-28(32)40-21)22(17)26-23(31)24-20(13-33-26)27(37-14-18-5-6-19(12-18)15-37)36-29(35-24)39-16-30-8-2-10-38(30)11-3-9-30;30-20-6-5-18(24-25(20)40-27(32)34-24)22-21(31)23-19(12-33-22)26(37-13-16-3-4-17(11-16)14-37)36-28(35-23)39-15-29-7-1-9-38(29)10-2-8-29;30-22-24(19-4-1-5-21-23(19)33-27(31)39-21)32-13-20-25(22)34-28(38-16-29-8-2-10-37(29)11-3-9-29)35-26(20)36-14-17-6-7-18(12-17)15-36;30-23-25(20-4-1-5-22-24(20)32-17-38-22)31-13-21-26(23)33-28(37-16-29-8-2-10-36(29)11-3-9-29)34-27(21)35-14-18-6-7-19(12-18)15-35/h10-11,13,18-21,23,41H,3-9,12,14-17H2,1-2H3;9,12,17,20-21H,4-8,10-11,13-16H2,1-3H3,(H2,34,36);11,13,19-20H,3-10,12,14-16H2,1-2H3,(H2,33,35);4,7,13,18-19H,2-3,5-6,8-12,14-16H2,1H3,(H2,32,34);5-6,12,16-17H,1-4,7-11,13-15H2,(H2,32,34);1,4-5,13,17-18H,2-3,6-12,14-16H2,(H2,31,33);1,4-5,13,17-19H,2-3,6-12,14-16H2/t18-,19-,20?,21?,23-,33+;17-,20?,21?,32+;;;;;/m11...../s1.

What are the key properties of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine?

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 3953.42 g/mol, XLogP of 40.75, 36 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-1,3-benzothiazole;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-methyl-1,3-benzothiazol-2-amine;3-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-chloro-4-[(1R,2R)-2-methylcyclopropyl]phenol;4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5,6-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 167614655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).