4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C231H231N31O6+10 — CID 157324007

About 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 157324007) has the molecular formula C231H231N31O6+10 and a molecular weight of 3537.60 g/mol. Its IUPAC name is 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

• Compound Name: 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
• PubChem CID: 157324007
• Molecular Formula: C231H231N31O6+10
• Molecular Weight: 3537.60 g/mol
• Exact Mass: 3534.87
• IUPAC Name: 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
• SMILES: Cc1c(Cc2cccc[n+]2C)cccc1Oc1cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c2c1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)ccc(C(C)C)c1N1c2ncccc2N(C)[C@H]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)ccnc1N1c2c(C(C)C)cccc2N(C)[C@H]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cncc1-n1c2ccccc2c[n+]1C.Cc1ccccc1Cc1cccc(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)[n+]1C.Cc1nc(C)c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)c(C)c1Cc1cccc[n+]1C
• InChI: InChI=1S/2C41H43N6O.C38H39N5O.C37H34N6O.2C37H36N4O/c1-23(2)28-14-12-18-32-37(28)38-36(41-45(9)30-16-10-11-17-31(30)47(32)41)25(5)35(22-43-38)48-34-20-21-42-40(26(34)6)46-27(7)44(8)33-19-13-15-29(24(3)4)39(33)46;1-23(2)28-14-12-17-32-37(28)38-36(41-45(9)30-15-10-11-16-31(30)47(32)41)25(5)35(22-43-38)48-34-20-19-29(24(3)4)39(26(34)6)46-27(7)44(8)33-18-13-21-42-40(33)46;1-22(2)28-15-13-18-32-35(28)36-34(38-42(8)30-16-9-10-17-31(30)43(32)38)24(4)33(21-39-36)44-37-23(3)29(25(5)40-26(37)6)20-27-14-11-12-19-41(27)7;1-22(2)26-13-11-17-30-35(26)36-34(37-41(6)28-15-9-10-16-29(28)42(30)37)24(4)33(20-39-36)44-32-19-38-18-31(23(32)3)43-27-14-8-7-12-25(27)21-40(43)5;1-23(2)28-15-12-18-31-35(28)36-34(37-40(6)29-16-7-8-17-30(29)41(31)37)25(4)33(22-38-36)42-32-19-11-13-26(24(32)3)21-27-14-9-10-20-39(27)5;1-23(2)28-16-12-19-31-35(28)36-34(37-40(6)29-17-9-10-18-30(29)41(31)37)25(4)32(22-38-36)42-33-20-11-15-27(39(33)5)21-26-14-8-7-13-24(26)3/h2*10-24,27H,1-9H3;9-19,21-22H,20H2,1-8H3;7-22H,1-6H3;2*7-20,22-23H,21H2,1-6H3/q2*+1;4*+2/t2*27-;;;;/m11..../s1
• InChIKey: YQUHKRYILHZCAL-NLYSHAQDSA-N
• XLogP: 49.23
• TPSA: 267.43 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3537.60
LogP ≤ 5	49.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

The IUPAC name of 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 157324007) is 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

What is the SMILES notation for 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

The canonical SMILES for 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is Cc1c(Cc2cccc[n+]2C)cccc1Oc1cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c2c1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)ccc(C(C)C)c1N1c2ncccc2N(C)[C@H]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)ccnc1N1c2c(C(C)C)cccc2N(C)[C@H]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cncc1-n1c2ccccc2c[n+]1C.Cc1ccccc1Cc1cccc(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)[n+]1C.Cc1nc(C)c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)c(C)c1Cc1cccc[n+]1C.

What is the InChIKey of 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

The InChIKey is YQUHKRYILHZCAL-NLYSHAQDSA-N. The full InChI is InChI=1S/2C41H43N6O.C38H39N5O.C37H34N6O.2C37H36N4O/c1-23(2)28-14-12-18-32-37(28)38-36(41-45(9)30-16-10-11-17-31(30)47(32)41)25(5)35(22-43-38)48-34-20-21-42-40(26(34)6)46-27(7)44(8)33-19-13-15-29(24(3)4)39(33)46;1-23(2)28-14-12-17-32-37(28)38-36(41-45(9)30-15-10-11-16-31(30)47(32)41)25(5)35(22-43-38)48-34-20-19-29(24(3)4)39(26(34)6)46-27(7)44(8)33-18-13-21-42-40(33)46;1-22(2)28-15-13-18-32-35(28)36-34(38-42(8)30-16-9-10-17-31(30)43(32)38)24(4)33(21-39-36)44-37-23(3)29(25(5)40-26(37)6)20-27-14-11-12-19-41(27)7;1-22(2)26-13-11-17-30-35(26)36-34(37-41(6)28-15-9-10-16-29(28)42(30)37)24(4)33(20-39-36)44-32-19-38-18-31(23(32)3)43-27-14-8-7-12-25(27)21-40(43)5;1-23(2)28-15-12-18-31-35(28)36-34(37-40(6)29-16-7-8-17-30(29)41(31)37)25(4)33(22-38-36)42-32-19-11-13-26(24(32)3)21-27-14-9-10-20-39(27)5;1-23(2)28-16-12-19-31-35(28)36-34(37-40(6)29-17-9-10-18-30(29)41(31)37)25(4)32(22-38-36)42-33-20-11-15-27(39(33)5)21-26-14-8-7-13-24(26)3/h2*10-24,27H,1-9H3;9-19,21-22H,20H2,1-8H3;7-22H,1-6H3;2*7-20,22-23H,21H2,1-6H3/q2*+1;4*+2/t2*27-;;;;/m11..../s1.

What are the key properties of 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?

4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 3537.60 g/mol, XLogP of 49.23, 29 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2-methyl-4-propan-2-ylphenoxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[[4-methyl-5-(2-methylindazol-2-ium-1-yl)-3-pyridinyl]oxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[1-methyl-6-[(2-methylphenyl)methyl]pyridin-1-ium-2-yl]oxy-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-4-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)methyl]phenoxy]-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;4-[[2-[(2R)-2,3-dimethyl-7-propan-2-yl-2H-benzimidazol-1-yl]-3-methyl-4-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-4-[[2,4,6-trimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 157324007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).