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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C₁₁₂H₁₂₉BBr₃Cl₇F₈N₁₆O₁₈S₄ — CID 167554281

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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167554281) has the molecular formula C₁₁₂H₁₂₉BBr₃Cl₇F₈N₁₆O₁₈S₄ and a molecular weight of 2766.30 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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167554281
• Molecular Formula: C₁₁₂H₁₂₉BBr₃Cl₇F₈N₁₆O₁₈S₄
• Molecular Weight: 2766.30 g/mol
• Exact Mass: 2758.39
• 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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N3CCCS3(=O)=O)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(N3CCCS3(=O)=O)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NS(=O)(=O)CCCCl)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.O=S(=O)(Cl)CCCCl
• InChI: InChI=1S/C28H30ClF2N5O4S.C25H28BrCl2F2N3O4S.C25H27BrClF2N3O4S.C22H23BrClF2N3O2.C9H15BN2O2.C3H6Cl2O2S/c1-16(2)36-25-21(20-8-9-24(26(20)36)35-12-3-13-41(35,38)39)14-17(15-22(25)23-10-11-32-34-23)27(37)33-18-4-6-19(7-5-18)40-28(29,30)31;1-14(2)33-22-19(18-8-9-21(23(18)33)32-38(35,36)11-3-10-27)12-15(13-20(22)26)24(34)31-16-4-6-17(7-5-16)37-25(28,29)30;1-14(2)32-22-19(18-8-9-21(23(18)32)31-10-3-11-37(31,34)35)12-15(13-20(22)26)24(33)30-16-4-6-17(7-5-16)36-25(27,28)29;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;4-2-1-3-8(5,6)7/h4-7,10-11,14-16,20,24,26H,3,8-9,12-13H2,1-2H3,(H,32,34)(H,33,37);4-7,12-14,18,21,23,32H,3,8-11H2,1-2H3,(H,31,34);4-7,12-14,18,21,23H,3,8-11H2,1-2H3,(H,30,33);3-6,9-11,15,18,20H,7-8,27H2,1-2H3,(H,28,30);5-6H,1-4H3,(H,11,12);1-3H2
• InChIKey: CUPWJLKKJGAGPT-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 423.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.30
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167554281) 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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N3CCCS3(=O)=O)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(N3CCCS3(=O)=O)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(NS(=O)(=O)CCCCl)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.O=S(=O)(Cl)CCCCl.

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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is CUPWJLKKJGAGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF2N5O4S.C25H28BrCl2F2N3O4S.C25H27BrClF2N3O4S.C22H23BrClF2N3O2.C9H15BN2O2.C3H6Cl2O2S/c1-16(2)36-25-21(20-8-9-24(26(20)36)35-12-3-13-41(35,38)39)14-17(15-22(25)23-10-11-32-34-23)27(37)33-18-4-6-19(7-5-18)40-28(29,30)31;1-14(2)33-22-19(18-8-9-21(23(18)33)32-38(35,36)11-3-10-27)12-15(13-20(22)26)24(34)31-16-4-6-17(7-5-16)37-25(28,29)30;1-14(2)32-22-19(18-8-9-21(23(18)32)31-10-3-11-37(31,34)35)12-15(13-20(22)26)24(33)30-16-4-6-17(7-5-16)36-25(27,28)29;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;4-2-1-3-8(5,6)7/h4-7,10-11,14-16,20,24,26H,3,8-9,12-13H2,1-2H3,(H,32,34)(H,33,37);4-7,12-14,18,21,23,32H,3,8-11H2,1-2H3,(H,31,34);4-7,12-14,18,21,23H,3,8-11H2,1-2H3,(H,30,33);3-6,9-11,15,18,20H,7-8,27H2,1-2H3,(H,28,30);5-6H,1-4H3,(H,11,12);1-3H2.

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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2766.30 g/mol, XLogP of 24.95, 32 rotatable bonds, 8 hydrogen bond donors, and 25 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;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(3-chloropropylsulfonylamino)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;3-chloropropane-1-sulfonyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167554281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167554281 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.