4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate

C115H123F5N46O2S — CID 159123802

About 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate

4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 159123802) has the molecular formula C115H123F5N46O2S and a molecular weight of 2308.63 g/mol. Its IUPAC name is 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate
• PubChem CID: 159123802
• Molecular Formula: C115H123F5N46O2S
• Molecular Weight: 2308.63 g/mol
• Exact Mass: 2307.06
• IUPAC Name: 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc(Nc2nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c3c(n2)[nH]c2c(NC)cc(F)cc23)n1.CNc1cc(F)cc2c1[nH]c1nc(Nc3cccnc3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.CNc1cc(F)cc2c1[nH]c1nc(Nc3cnc(C)nc3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.CNc1cc(F)cc2c1[nH]c1nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.CNc1cc(F)cc2c1[nH]c1nc(Nc3cnc4ccnn4c3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12
• InChI: InChI=1S/C25H28FN11.C23H23FN10.C23H25FN8O2S.C22H24FN9.C22H23FN8/c1-11(2)37-23-19(34-35-37)7-14(9-29-23)30-25-32-22-20(16-5-13(26)6-18(28-3)21(16)31-22)24(33-25)36-10-12-4-15(36)8-17(12)27;1-26-17-6-12(24)5-15-19-21(30-20(15)17)31-23(29-13-8-27-18-2-3-28-34(18)10-13)32-22(19)33-9-11-4-14(33)7-16(11)25;1-3-34-21(33)16-9-35-23(27-16)31-22-29-19-17(13-5-11(24)6-15(26-2)18(13)28-19)20(30-22)32-8-10-4-12(32)7-14(10)25;1-10-26-7-13(8-27-10)28-22-30-20-18(15-4-12(23)5-17(25-2)19(15)29-20)21(31-22)32-9-11-3-14(32)6-16(11)24;1-25-17-7-12(23)6-15-18-20(28-19(15)17)29-22(27-13-3-2-4-26-9-13)30-21(18)31-10-11-5-14(31)8-16(11)24/h5-7,9,11-12,15,17,28H,4,8,10,27H2,1-3H3,(H2,30,31,32,33);2-3,5-6,8,10-11,14,16,26H,4,7,9,25H2,1H3,(H2,29,30,31,32);5-6,9-10,12,14,26H,3-4,7-8,25H2,1-2H3,(H2,27,28,29,30,31);4-5,7-8,11,14,16,25H,3,6,9,24H2,1-2H3,(H2,28,29,30,31);2-4,6-7,9,11,14,16,25H,5,8,10,24H2,1H3,(H2,27,28,29,30)/t12-,15-,17-;11-,14-,16-;10-,12-,14-;2*11-,14-,16-/m11111/s1
• InChIKey: KGAKORWLFBALOQ-VAKLZZAQSA-N
• XLogP: 16.70
• TPSA: 626.10 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2308.63
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate?

The IUPAC name of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate (CID 159123802) is 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate?

The canonical SMILES for 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c3c(n2)[nH]c2c(NC)cc(F)cc23)n1.CNc1cc(F)cc2c1[nH]c1nc(Nc3cccnc3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.CNc1cc(F)cc2c1[nH]c1nc(Nc3cnc(C)nc3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.CNc1cc(F)cc2c1[nH]c1nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.CNc1cc(F)cc2c1[nH]c1nc(Nc3cnc4ccnn4c3)nc(N3C[C@H]4C[C@@H]3C[C@H]4N)c12.

What is the InChIKey of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate?

The InChIKey is KGAKORWLFBALOQ-VAKLZZAQSA-N. The full InChI is InChI=1S/C25H28FN11.C23H23FN10.C23H25FN8O2S.C22H24FN9.C22H23FN8/c1-11(2)37-23-19(34-35-37)7-14(9-29-23)30-25-32-22-20(16-5-13(26)6-18(28-3)21(16)31-22)24(33-25)36-10-12-4-15(36)8-17(12)27;1-26-17-6-12(24)5-15-19-21(30-20(15)17)31-23(29-13-8-27-18-2-3-28-34(18)10-13)32-22(19)33-9-11-4-14(33)7-16(11)25;1-3-34-21(33)16-9-35-23(27-16)31-22-29-19-17(13-5-11(24)6-15(26-2)18(13)28-19)20(30-22)32-8-10-4-12(32)7-14(10)25;1-10-26-7-13(8-27-10)28-22-30-20-18(15-4-12(23)5-17(25-2)19(15)29-20)21(31-22)32-9-11-3-14(32)6-16(11)24;1-25-17-7-12(23)6-15-18-20(28-19(15)17)29-22(27-13-3-2-4-26-9-13)30-21(18)31-10-11-5-14(31)8-16(11)24/h5-7,9,11-12,15,17,28H,4,8,10,27H2,1-3H3,(H2,30,31,32,33);2-3,5-6,8,10-11,14,16,26H,4,7,9,25H2,1H3,(H2,29,30,31,32);5-6,9-10,12,14,26H,3-4,7-8,25H2,1-2H3,(H2,27,28,29,30,31);4-5,7-8,11,14,16,25H,3,6,9,24H2,1-2H3,(H2,28,29,30,31);2-4,6-7,9,11,14,16,25H,5,8,10,24H2,1H3,(H2,27,28,29,30)/t12-,15-,17-;11-,14-,16-;10-,12-,14-;2*11-,14-,16-/m11111/s1.

What are the key properties of 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate?

4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 2308.63 g/mol, XLogP of 16.70, 23 rotatable bonds, 20 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159123802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).