1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride

C149H166BrClF5N15O23 — CID 161419173

About 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride

1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride (PubChem CID 161419173) has the molecular formula C149H166BrClF5N15O23 and a molecular weight of 2745.40 g/mol. Its IUPAC name is 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride
• PubChem CID: 161419173
• Molecular Formula: C149H166BrClF5N15O23
• Molecular Weight: 2745.40 g/mol
• Exact Mass: 2742.11
• IUPAC Name: 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)CCN1C(=O)C2N(Cc3c(c4ccccc4n3Cc3ccc(F)cc3)C2(C)C)C1=O.CC(C)(C)OC(=O)CCOC#N.CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C(C)(C)C1C(=O)O.CC(C)(C)OC(=O)N1Cc2c(c3ccccc3n2Cc2ccc(F)cc2)C(C)(C)C1C(=O)O.CC1(C)c2c([nH]c3ccccc23)CNC1C(=O)O.CC1(C)c2c(n(Cc3ccc(F)cc3)c3ccccc23)CN2C(=O)N(CCC(=O)O)C(=O)C21.CC1(C)c2c(n(Cc3ccc(F)cc3)c3ccccc23)CNC1C(=O)O.Cl.Fc1ccc(CBr)cc1
• InChI: InChI=1S/C29H32FN3O4.C26H29FN2O4.C25H24FN3O4.C21H21FN2O2.C19H24N2O4.C14H16N2O2.C8H13NO3.C7H6BrF.ClH/c1-28(2,3)37-23(34)14-15-31-26(35)25-29(4,5)24-20-8-6-7-9-21(20)32(22(24)17-33(25)27(31)36)16-18-10-12-19(30)13-11-18;1-25(2,3)33-24(32)29-15-20-21(26(4,5)22(29)23(30)31)18-8-6-7-9-19(18)28(20)14-16-10-12-17(27)13-11-16;1-25(2)21-17-5-3-4-6-18(17)28(13-15-7-9-16(26)10-8-15)19(21)14-29-22(25)23(32)27(24(29)33)12-11-20(30)31;1-21(2)18-15-5-3-4-6-16(15)24(12-13-7-9-14(22)10-8-13)17(18)11-23-19(21)20(25)26;1-18(2,3)25-17(24)21-10-13-14(19(4,5)15(21)16(22)23)11-8-6-7-9-12(11)20-13;1-14(2)11-8-5-3-4-6-9(8)16-10(11)7-15-12(14)13(17)18;1-8(2,3)12-7(10)4-5-11-6-9;8-5-6-1-3-7(9)4-2-6;/h6-13,25H,14-17H2,1-5H3;6-13,22H,14-15H2,1-5H3,(H,30,31);3-10,22H,11-14H2,1-2H3,(H,30,31);3-10,19,23H,11-12H2,1-2H3,(H,25,26);6-9,15,20H,10H2,1-5H3,(H,22,23);3-6,12,15-16H,7H2,1-2H3,(H,17,18);4-5H2,1-3H3;1-4H,5H2;1H
• InChIKey: JGEHKOTUPFWKFA-UHFFFAOYSA-N
• XLogP: 27.69
• TPSA: 487.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2745.40
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride?

The IUPAC name of 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride (CID 161419173) is 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride?

The canonical SMILES for 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)CCN1C(=O)C2N(Cc3c(c4ccccc4n3Cc3ccc(F)cc3)C2(C)C)C1=O.CC(C)(C)OC(=O)CCOC#N.CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C(C)(C)C1C(=O)O.CC(C)(C)OC(=O)N1Cc2c(c3ccccc3n2Cc2ccc(F)cc2)C(C)(C)C1C(=O)O.CC1(C)c2c([nH]c3ccccc23)CNC1C(=O)O.CC1(C)c2c(n(Cc3ccc(F)cc3)c3ccccc23)CN2C(=O)N(CCC(=O)O)C(=O)C21.CC1(C)c2c(n(Cc3ccc(F)cc3)c3ccccc23)CNC1C(=O)O.Cl.Fc1ccc(CBr)cc1.

What is the InChIKey of 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride?

The InChIKey is JGEHKOTUPFWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O4.C26H29FN2O4.C25H24FN3O4.C21H21FN2O2.C19H24N2O4.C14H16N2O2.C8H13NO3.C7H6BrF.ClH/c1-28(2,3)37-23(34)14-15-31-26(35)25-29(4,5)24-20-8-6-7-9-21(20)32(22(24)17-33(25)27(31)36)16-18-10-12-19(30)13-11-18;1-25(2,3)33-24(32)29-15-20-21(26(4,5)22(29)23(30)31)18-8-6-7-9-19(18)28(20)14-16-10-12-17(27)13-11-16;1-25(2)21-17-5-3-4-6-18(17)28(13-15-7-9-16(26)10-8-15)19(21)14-29-22(25)23(32)27(24(29)33)12-11-20(30)31;1-21(2)18-15-5-3-4-6-16(15)24(12-13-7-9-14(22)10-8-13)17(18)11-23-19(21)20(25)26;1-18(2,3)25-17(24)21-10-13-14(19(4,5)15(21)16(22)23)11-8-6-7-9-12(11)20-13;1-14(2)11-8-5-3-4-6-9(8)16-10(11)7-15-12(14)13(17)18;1-8(2,3)12-7(10)4-5-11-6-9;8-5-6-1-3-7(9)4-2-6;/h6-13,25H,14-17H2,1-5H3;6-13,22H,14-15H2,1-5H3,(H,30,31);3-10,22H,11-14H2,1-2H3,(H,30,31);3-10,19,23H,11-12H2,1-2H3,(H,25,26);6-9,15,20H,10H2,1-5H3,(H,22,23);3-6,12,15-16H,7H2,1-2H3,(H,17,18);4-5H2,1-3H3;1-4H,5H2;1H.

What are the key properties of 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride?

1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride has a molecular weight of 2745.40 g/mol, XLogP of 27.69, 22 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-4-fluorobenzene;tert-butyl 3-cyanatopropanoate;tert-butyl 3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,9-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;3-[8-[(4-fluorophenyl)methyl]-16,16-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid;9-[(4-fluorophenyl)methyl]-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydropyrido[3,4-b]indole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 161419173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).