3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C₁₅₄H₁₈₀BBr₄Cl₅F₁₀N₂₄O₂₂ — CID 167542076

About 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167542076) has the molecular formula C₁₅₄H₁₈₀BBr₄Cl₅F₁₀N₂₄O₂₂ and a molecular weight of 3416.95 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167542076
• Molecular Formula: C₁₅₄H₁₈₀BBr₄Cl₅F₁₀N₂₄O₂₂
• Molecular Weight: 3416.95 g/mol
• Exact Mass: 3408.88
• IUPAC Name: 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC(C)(C)OC(=O)N1CC(C(=O)O)C1.CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CN(C)C3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CN(C(=O)OC(C)(C)C)C3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CN(C)C3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CNC3)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C
• InChI: InChI=1S/C31H36BrClF2N4O5.C30H33ClF2N6O3.C27H30BrClF2N4O3.C26H28BrClF2N4O3.C22H23BrClF2N3O2.C9H15BN2O2.C9H15NO4/c1-16(2)39-25-22(12-17(13-23(25)32)27(40)36-19-6-8-20(9-7-19)43-31(33,34)35)21-10-11-24(26(21)39)37-28(41)18-14-38(15-18)29(42)44-30(3,4)5;1-16(2)39-26-22(21-8-9-25(27(21)39)36-29(41)18-14-38(3)15-18)12-17(13-23(26)24-10-11-34-37-24)28(40)35-19-4-6-20(7-5-19)42-30(31,32)33;1-14(2)35-23-20(19-8-9-22(24(19)35)33-26(37)16-12-34(3)13-16)10-15(11-21(23)28)25(36)32-17-4-6-18(7-5-17)38-27(29,30)31;1-13(2)34-22-19(18-7-8-21(23(18)34)33-25(36)15-11-31-12-15)9-14(10-20(22)27)24(35)32-16-3-5-17(6-4-16)37-26(28,29)30;1-11(2)29-19-16(15-7-8-18(27)20(15)29)9-12(10-17(19)23)21(30)28-13-3-5-14(6-4-13)31-22(24,25)26;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-9(2,3)14-8(13)10-4-6(5-10)7(11)12/h6-9,12-13,16,18,21,24,26H,10-11,14-15H2,1-5H3,(H,36,40)(H,37,41);4-7,10-13,16,18,21,25,27H,8-9,14-15H2,1-3H3,(H,34,37)(H,35,40)(H,36,41);4-7,10-11,14,16,19,22,24H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37);3-6,9-10,13,15,18,21,23,31H,7-8,11-12H2,1-2H3,(H,32,35)(H,33,36);3-6,9-11,15,18,20H,7-8,27H2,1-2H3,(H,28,30);5-6H,1-4H3,(H,11,12);6H,4-5H2,1-3H3,(H,11,12)
• InChIKey: BIBILZGKFDLFKC-UHFFFAOYSA-N
• XLogP: 29.47
• TPSA: 540.98 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3416.95
LogP ≤ 5	29.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167542076) is 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC(C)(C)OC(=O)N1CC(C(=O)O)C1.CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CN(C)C3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CN(C(=O)OC(C)(C)C)C3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CN(C)C3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NC(=O)C3CNC3)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.

What is the InChIKey of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is BIBILZGKFDLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36BrClF2N4O5.C30H33ClF2N6O3.C27H30BrClF2N4O3.C26H28BrClF2N4O3.C22H23BrClF2N3O2.C9H15BN2O2.C9H15NO4/c1-16(2)39-25-22(12-17(13-23(25)32)27(40)36-19-6-8-20(9-7-19)43-31(33,34)35)21-10-11-24(26(21)39)37-28(41)18-14-38(15-18)29(42)44-30(3,4)5;1-16(2)39-26-22(21-8-9-25(27(21)39)36-29(41)18-14-38(3)15-18)12-17(13-23(26)24-10-11-34-37-24)28(40)35-19-4-6-20(7-5-19)42-30(31,32)33;1-14(2)35-23-20(19-8-9-22(24(19)35)33-26(37)16-12-34(3)13-16)10-15(11-21(23)28)25(36)32-17-4-6-18(7-5-17)38-27(29,30)31;1-13(2)34-22-19(18-7-8-21(23(18)34)33-25(36)15-11-31-12-15)9-14(10-20(22)27)24(35)32-16-3-5-17(6-4-16)37-26(28,29)30;1-11(2)29-19-16(15-7-8-18(27)20(15)29)9-12(10-17(19)23)21(30)28-13-3-5-14(6-4-13)31-22(24,25)26;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-9(2,3)14-8(13)10-4-6(5-10)7(11)12/h6-9,12-13,16,18,21,24,26H,10-11,14-15H2,1-5H3,(H,36,40)(H,37,41);4-7,10-13,16,18,21,25,27H,8-9,14-15H2,1-3H3,(H,34,37)(H,35,40)(H,36,41);4-7,10-11,14,16,19,22,24H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37);3-6,9-10,13,15,18,21,23,31H,7-8,11-12H2,1-2H3,(H,32,35)(H,33,36);3-6,9-11,15,18,20H,7-8,27H2,1-2H3,(H,28,30);5-6H,1-4H3,(H,11,12);6H,4-5H2,1-3H3,(H,11,12).

What are the key properties of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 3416.95 g/mol, XLogP of 29.47, 36 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-(azetidine-3-carbonylamino)-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;tert-butyl 3-[[5-bromo-7-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-3-yl]carbamoyl]azetidine-1-carboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-3-[(1-methylazetidine-3-carbonyl)amino]-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167542076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167542076 — identifiers, structure, computed properties (public domain)

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