potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine

C111H124Br4Cl3F21KN17O14 — CID 167645845

About potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine

potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine (PubChem CID 167645845) has the molecular formula C111H124Br4Cl3F21KN17O14 and a molecular weight of 2784.35 g/mol. Its IUPAC name is potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine
• PubChem CID: 167645845
• Molecular Formula: C111H124Br4Cl3F21KN17O14
• Molecular Weight: 2784.35 g/mol
• Exact Mass: 2777.46
• IUPAC Name: potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine
• SMILES: CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCN(CC(F)(F)F)CC21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCN(CC(F)(F)F)CC21.CC(C)N1c2c(Br)cc(C(=O)O)cc2C2CCN(CC(F)(F)F)CC21.COC(=O)c1cc(Br)c2c(c1)C(CC=O)C(C=O)N2C(C)C.COC(=O)c1cc(Br)c2c(c1)C1CCN(CC(F)(F)F)CC1N2C(C)C.NCC(F)(F)F.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.[K+]
• InChI: InChI=1S/C27H27ClF5N5O2.C24H24BrClF5N3O2.C18H22BrF3N2O2.C17H20BrF3N2O2.C16H18BrNO4.C7H6ClF2NO.C2H4F3N.K.H3N2O/c1-15(2)38-23-13-37(14-26(29,30)31)10-8-19(23)20-11-16(12-21(24(20)38)22-7-9-34-36-22)25(39)35-17-3-5-18(6-4-17)40-27(28,32)33;1-13(2)34-20-11-33(12-23(27,28)29)8-7-17(20)18-9-14(10-19(25)21(18)34)22(35)32-15-3-5-16(6-4-15)36-24(26,30)31;1-10(2)24-15-8-23(9-18(20,21)22)5-4-12(15)13-6-11(17(25)26-3)7-14(19)16(13)24;1-9(2)23-14-7-22(8-17(19,20)21)4-3-11(14)12-5-10(16(24)25)6-13(18)15(12)23;1-9(2)18-14(8-20)11(4-5-19)12-6-10(16(21)22-3)7-13(17)15(12)18;8-7(9,10)12-6-3-1-5(11)2-4-6;3-2(4,5)1-6;;1-2-3/h3-7,9,11-12,15,19,23H,8,10,13-14H2,1-2H3,(H,34,36)(H,35,39);3-6,9-10,13,17,20H,7-8,11-12H2,1-2H3,(H,32,35);6-7,10,12,15H,4-5,8-9H2,1-3H3;5-6,9,11,14H,3-4,7-8H2,1-2H3,(H,24,25);5-9,11,14H,4H2,1-3H3;1-4H,11H2;1,6H2;;3H,1H2/q;;;;;;;+1;-1
• InChIKey: PVYDIKAGUKBHDY-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 380.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2784.35
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine?

The IUPAC name of potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine (CID 167645845) is potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine.

What is the SMILES notation for potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine?

The canonical SMILES for potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine is CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCN(CC(F)(F)F)CC21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCN(CC(F)(F)F)CC21.CC(C)N1c2c(Br)cc(C(=O)O)cc2C2CCN(CC(F)(F)F)CC21.COC(=O)c1cc(Br)c2c(c1)C(CC=O)C(C=O)N2C(C)C.COC(=O)c1cc(Br)c2c(c1)C1CCN(CC(F)(F)F)CC1N2C(C)C.NCC(F)(F)F.N[N-]O.Nc1ccc(OC(F)(F)Cl)cc1.[K+].

What is the InChIKey of potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine?

The InChIKey is PVYDIKAGUKBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF5N5O2.C24H24BrClF5N3O2.C18H22BrF3N2O2.C17H20BrF3N2O2.C16H18BrNO4.C7H6ClF2NO.C2H4F3N.K.H3N2O/c1-15(2)38-23-13-37(14-26(29,30)31)10-8-19(23)20-11-16(12-21(24(20)38)22-7-9-34-36-22)25(39)35-17-3-5-18(6-4-17)40-27(28,32)33;1-13(2)34-20-11-33(12-23(27,28)29)8-7-17(20)18-9-14(10-19(25)21(18)34)22(35)32-15-3-5-16(6-4-15)36-24(26,30)31;1-10(2)24-15-8-23(9-18(20,21)22)5-4-12(15)13-6-11(17(25)26-3)7-14(19)16(13)24;1-9(2)23-14-7-22(8-17(19,20)21)4-3-11(14)12-5-10(16(24)25)6-13(18)15(12)23;1-9(2)18-14(8-20)11(4-5-19)12-6-10(16(21)22-3)7-13(17)15(12)18;8-7(9,10)12-6-3-1-5(11)2-4-6;3-2(4,5)1-6;;1-2-3/h3-7,9,11-12,15,19,23H,8,10,13-14H2,1-2H3,(H,34,36)(H,35,39);3-6,9-10,13,17,20H,7-8,11-12H2,1-2H3,(H,32,35);6-7,10,12,15H,4-5,8-9H2,1-3H3;5-6,9,11,14H,3-4,7-8H2,1-2H3,(H,24,25);5-9,11,14H,4H2,1-3H3;1-4H,11H2;1,6H2;;3H,1H2/q;;;;;;;+1;-1.

What are the key properties of potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine?

potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine has a molecular weight of 2784.35 g/mol, XLogP of 23.82, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;amino(hydroxy)azanide;8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-9-propan-2-yl-8-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxamide;methyl 7-bromo-2-formyl-3-(2-oxoethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxylate;methyl 8-bromo-9-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate;2,2,2-trifluoroethanamine is sourced from PubChem (CID 167645845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).