3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C93H107BBr2Cl5F6N13O11 — CID 167673617

About 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167673617) has the molecular formula C93H107BBr2Cl5F6N13O11 and a molecular weight of 2044.83 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl 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-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167673617
• Molecular Formula: C93H107BBr2Cl5F6N13O11
• Molecular Weight: 2044.83 g/mol
• Exact Mass: 2039.50
• IUPAC Name: 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl 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(N3CCCCC3=O)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(Cl)cc3)cc2C2CCC(N)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N3CCCCC3=O)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.O=C(Cl)CCCCCl.O=C(F)F
• InChI: InChI=1S/C30H32ClF2N5O3.C27H29BrClF2N3O3.C21H23BrClN3O.C9H15BN2O2.C5H8Cl2O.CF2O/c1-17(2)38-27-22(21-10-11-25(28(21)38)37-14-4-3-5-26(37)39)15-18(16-23(27)24-12-13-34-36-24)29(40)35-19-6-8-20(9-7-19)41-30(31,32)33;1-15(2)34-24-20(19-10-11-22(25(19)34)33-12-4-3-5-23(33)35)13-16(14-21(24)28)26(36)32-17-6-8-18(9-7-17)37-27(29,30)31;1-11(2)26-19-16(15-7-8-18(24)20(15)26)9-12(10-17(19)22)21(27)25-14-5-3-13(23)4-6-14;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;6-4-2-1-3-5(7)8;2-1(3)4/h6-9,12-13,15-17,21,25,28H,3-5,10-11,14H2,1-2H3,(H,34,36)(H,35,40);6-9,13-15,19,22,25H,3-5,10-12H2,1-2H3,(H,32,36);3-6,9-11,15,18,20H,7-8,24H2,1-2H3,(H,25,27);5-6H,1-4H3,(H,11,12);1-4H2
• InChIKey: UMMIVNAXCRAJNS-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 292.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.83
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl 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-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167673617) is 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl 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-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl 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-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl 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(N3CCCCC3=O)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(Cl)cc3)cc2C2CCC(N)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N3CCCCC3=O)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.O=C(Cl)CCCCCl.O=C(F)F.

What is the InChIKey of 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is UMMIVNAXCRAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClF2N5O3.C27H29BrClF2N3O3.C21H23BrClN3O.C9H15BN2O2.C5H8Cl2O.CF2O/c1-17(2)38-27-22(21-10-11-25(28(21)38)37-14-4-3-5-26(37)39)15-18(16-23(27)24-12-13-34-36-24)29(40)35-19-6-8-20(9-7-19)41-30(31,32)33;1-15(2)34-24-20(19-10-11-22(25(19)34)33-12-4-3-5-23(33)35)13-16(14-21(24)28)26(36)32-17-6-8-18(9-7-17)37-27(29,30)31;1-11(2)26-19-16(15-7-8-18(24)20(15)26)9-12(10-17(19)22)21(27)25-14-5-3-13(23)4-6-14;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;6-4-2-1-3-5(7)8;2-1(3)4/h6-9,12-13,15-17,21,25,28H,3-5,10-11,14H2,1-2H3,(H,34,36)(H,35,40);6-9,13-15,19,22,25H,3-5,10-12H2,1-2H3,(H,32,36);3-6,9-11,15,18,20H,7-8,24H2,1-2H3,(H,25,27);5-6H,1-4H3,(H,11,12);1-4H2;.

What are the key properties of 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2044.83 g/mol, XLogP of 22.15, 21 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-bromo-N-(4-chlorophenyl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;carbonyl difluoride;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(2-oxopiperidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-chloropentanoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167673617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).