5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate

C181H208F6N38O30S2 — CID 161290388

About 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate

5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate (PubChem CID 161290388) has the molecular formula C181H208F6N38O30S2 and a molecular weight of 3574.01 g/mol. Its IUPAC name is 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate
• PubChem CID: 161290388
• Molecular Formula: C181H208F6N38O30S2
• Molecular Weight: 3574.01 g/mol
• Exact Mass: 3571.53
• IUPAC Name: 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate
• SMILES: C.C.C.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(Oc3cncc(C(=O)O)c3)nc(NCCCCCCN)c12.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(S(=O)(=O)Cc3ccccc3)nc(S(=O)(=O)Cc3ccccc3)c12.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc3nc(c12)NCCCCCCCC(=O)c1cncc(c1)O3.CNc1cc(F)cc2c1[nH]c1nc3nc(c12)NCCCCCCCC(=O)c1cncc(c1)O3.CNc1cc(F)cc2c1[nH]c1nc3nc(c12)NCCCCCCCC(=O)c1cncc(c1)O3.COC(=O)c1cncc(O)c1.COC(=O)c1cncc(Oc2nc(Oc3cncc(C(=O)OC)c3)c3c(n2)[nH]c2c(N(C)C(=O)OC(C)(C)C)cc(F)cc23)c1.NCCCCCCN
• InChI: InChI=1S/C30H27FN6O8.C30H29FN4O6S2.C29H33FN6O4.C28H34FN7O5.2C24H25FN6O2.C7H7NO3.C6H16N2.3CH4/c1-30(2,3)45-29(40)37(4)21-10-17(31)9-20-22-24(34-23(20)21)35-28(44-19-8-16(12-33-14-19)27(39)42-6)36-25(22)43-18-7-15(11-32-13-18)26(38)41-5;1-30(2,3)41-29(36)35(4)23-16-21(31)15-22-24-26(32-25(22)23)33-28(43(39,40)18-20-13-9-6-10-14-20)34-27(24)42(37,38)17-19-11-7-5-8-12-19;1-29(2,3)40-28(38)36(4)21-14-18(30)13-20-23-25-32-11-9-7-5-6-8-10-22(37)17-12-19(16-31-15-17)39-27(34-25)35-26(23)33-24(20)21;1-28(2,3)41-27(39)36(4)20-13-17(29)12-19-21-23(32-10-8-6-5-7-9-30)34-26(35-24(21)33-22(19)20)40-18-11-16(25(37)38)14-31-15-18;2*1-26-18-11-15(25)10-17-20-22-28-8-6-4-2-3-5-7-19(32)14-9-16(13-27-12-14)33-24(30-22)31-23(20)29-21(17)18;1-11-7(10)5-2-6(9)4-8-3-5;7-5-3-1-2-4-6-8;;;/h7-14H,1-6H3,(H,34,35,36);5-16H,17-18H2,1-4H3,(H,32,33,34);12-16H,5-11H2,1-4H3,(H2,32,33,34,35);11-15H,5-10,30H2,1-4H3,(H,37,38)(H2,32,33,34,35);2*9-13,26H,2-8H2,1H3,(H2,28,29,30,31);2-4,9H,1H3;1-8H2;3*1H4
• InChIKey: VGGPTRPVPMDVQT-UHFFFAOYSA-N
• XLogP: 37.14
• TPSA: 919.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 57
• Rotatable Bonds: 34
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3574.01
LogP ≤ 5	37.14
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate?

The IUPAC name of 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate (CID 161290388) is 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate.

What is the SMILES notation for 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate?

The canonical SMILES for 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate is C.C.C.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(Oc3cncc(C(=O)O)c3)nc(NCCCCCCN)c12.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(S(=O)(=O)Cc3ccccc3)nc(S(=O)(=O)Cc3ccccc3)c12.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc3nc(c12)NCCCCCCCC(=O)c1cncc(c1)O3.CNc1cc(F)cc2c1[nH]c1nc3nc(c12)NCCCCCCCC(=O)c1cncc(c1)O3.CNc1cc(F)cc2c1[nH]c1nc3nc(c12)NCCCCCCCC(=O)c1cncc(c1)O3.COC(=O)c1cncc(O)c1.COC(=O)c1cncc(Oc2nc(Oc3cncc(C(=O)OC)c3)c3c(n2)[nH]c2c(N(C)C(=O)OC(C)(C)C)cc(F)cc23)c1.NCCCCCCN.

What is the InChIKey of 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate?

The InChIKey is VGGPTRPVPMDVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O8.C30H29FN4O6S2.C29H33FN6O4.C28H34FN7O5.2C24H25FN6O2.C7H7NO3.C6H16N2.3CH4/c1-30(2,3)45-29(40)37(4)21-10-17(31)9-20-22-24(34-23(20)21)35-28(44-19-8-16(12-33-14-19)27(39)42-6)36-25(22)43-18-7-15(11-32-13-18)26(38)41-5;1-30(2,3)41-29(36)35(4)23-16-21(31)15-22-24-26(32-25(22)23)33-28(43(39,40)18-20-13-9-6-10-14-20)34-27(24)42(37,38)17-19-11-7-5-8-12-19;1-29(2,3)40-28(38)36(4)21-14-18(30)13-20-23-25-32-11-9-7-5-6-8-10-22(37)17-12-19(16-31-15-17)39-27(34-25)35-26(23)33-24(20)21;1-28(2,3)41-27(39)36(4)20-13-17(29)12-19-21-23(32-10-8-6-5-7-9-30)34-26(35-24(21)33-22(19)20)40-18-11-16(25(37)38)14-31-15-18;2*1-26-18-11-15(25)10-17-20-22-28-8-6-4-2-3-5-7-19(32)14-9-16(13-27-12-14)33-24(30-22)31-23(20)29-21(17)18;1-11-7(10)5-2-6(9)4-8-3-5;7-5-3-1-2-4-6-8;;;/h7-14H,1-6H3,(H,34,35,36);5-16H,17-18H2,1-4H3,(H,32,33,34);12-16H,5-11H2,1-4H3,(H2,32,33,34,35);11-15H,5-10,30H2,1-4H3,(H,37,38)(H2,32,33,34,35);2*9-13,26H,2-8H2,1H3,(H2,28,29,30,31);2-4,9H,1H3;1-8H2;3*1H4.

What are the key properties of 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate?

5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate has a molecular weight of 3574.01 g/mol, XLogP of 37.14, 34 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(6-aminohexylamino)-6-fluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-3-carboxylic acid;tert-butyl N-[2,4-bis(benzylsulfonyl)-6-fluoro-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-(21-fluoro-8-oxo-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-23-yl)-N-methylcarbamate;bis(21-fluoro-23-(methylamino)-2-oxa-5,16,25,27,28-pentazapentacyclo[15.10.1.13,7.018,26.019,24]nonacosa-1(27),3,5,7(29),17(28),18(26),19(24),20,22-nonaen-8-one);hexane-1,6-diamine;methane;methyl 5-[[6-fluoro-2-[(5-methoxycarbonyl-3-pyridinyl)oxy]-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-pyrimido[4,5-b]indol-4-yl]oxy]pyridine-3-carboxylate;methyl 5-hydroxypyridine-3-carboxylate is sourced from PubChem (CID 161290388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).