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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C87H97BBr2Cl4F6N16O11 — CID 167709930

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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167709930) has the molecular formula C87H97BBr2Cl4F6N16O11 and a molecular weight of 1969.25 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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167709930
• Molecular Formula: C87H97BBr2Cl4F6N16O11
• Molecular Weight: 1969.25 g/mol
• Exact Mass: 1964.46
• 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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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(N3CCNC3=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(N3CCNC3=O)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.O=C(F)F.O=C=NCCCl
• InChI: InChI=1S/C28H29ClF2N6O3.C25H26BrClF2N4O3.C21H23BrClN3O.C9H15BN2O2.C3H4ClNO.CF2O/c1-15(2)37-24-20(19-7-8-23(25(19)37)36-12-11-32-27(36)39)13-16(14-21(24)22-9-10-33-35-22)26(38)34-17-3-5-18(6-4-17)40-28(29,30)31;1-13(2)33-21-18(17-7-8-20(22(17)33)32-10-9-30-24(32)35)11-14(12-19(21)26)23(34)31-15-3-5-16(6-4-15)36-25(27,28)29;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;4-1-2-5-3-6;2-1(3)4/h3-6,9-10,13-15,19,23,25H,7-8,11-12H2,1-2H3,(H,32,39)(H,33,35)(H,34,38);3-6,11-13,17,20,22H,7-10H2,1-2H3,(H,30,35)(H,31,34);3-6,9-11,15,18,20H,7-8,24H2,1-2H3,(H,25,27);5-6H,1-4H3,(H,11,12);1-2H2
• InChIKey: ZRCURFSTOHKZGL-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 328.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1969.25
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', '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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167709930) 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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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(N3CCNC3=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(N3CCNC3=O)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.O=C(F)F.O=C=NCCCl.

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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is ZRCURFSTOHKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF2N6O3.C25H26BrClF2N4O3.C21H23BrClN3O.C9H15BN2O2.C3H4ClNO.CF2O/c1-15(2)37-24-20(19-7-8-23(25(19)37)36-12-11-32-27(36)39)13-16(14-21(24)22-9-10-33-35-22)26(38)34-17-3-5-18(6-4-17)40-28(29,30)31;1-13(2)33-21-18(17-7-8-20(22(17)33)32-10-9-30-24(32)35)11-14(12-19(21)26)23(34)31-15-3-5-16(6-4-15)36-25(27,28)29;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;4-1-2-5-3-6;2-1(3)4/h3-6,9-10,13-15,19,23,25H,7-8,11-12H2,1-2H3,(H,32,39)(H,33,35)(H,34,38);3-6,11-13,17,20,22H,7-10H2,1-2H3,(H,30,35)(H,31,34);3-6,9-11,15,18,20H,7-8,24H2,1-2H3,(H,25,27);5-6H,1-4H3,(H,11,12);1-2H2;.

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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1969.25 g/mol, XLogP of 18.57, 19 rotatable bonds, 8 hydrogen bond donors, and 18 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-oxoimidazolidin-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-oxoimidazolidin-1-yl)-4-propan-2-yl-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;1-chloro-2-isocyanatoethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167709930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).