5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine

C69H61Br3F9N11O4 — CID 164966710

About 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine

5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine (PubChem CID 164966710) has the molecular formula C69H61Br3F9N11O4 and a molecular weight of 1519.01 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

• Compound Name: 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
• PubChem CID: 164966710
• Molecular Formula: C69H61Br3F9N11O4
• Molecular Weight: 1519.01 g/mol
• Exact Mass: 1515.23
• IUPAC Name: 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine
• SMILES: Brc1ccc2[nH]ncc2c1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccc(F)cc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccc(F)cc1.CN.Fc1ccc(CBr)cc1.Fc1ccc(Cn2ncc3cc(Br)ccc32)cc1
• InChI: InChI=1S/C27H22F4N4O2.C14H10BrFN2.C13H13F3N2O2.C7H6BrF.C7H5BrN2.CH5N/c1-27(30,31)26(37)33-22-13-24(36)35(25(22)17-4-8-20(29)9-5-17)21-10-11-23-18(12-21)14-32-34(23)15-16-2-6-19(28)7-3-16;15-12-3-6-14-11(7-12)8-17-18(14)9-10-1-4-13(16)5-2-10;1-13(15,16)12(20)17-9-6-10(19)18-11(9)7-2-4-8(14)5-3-7;8-5-6-1-3-7(9)4-2-6;8-6-1-2-7-5(3-6)4-9-10-7;1-2/h2-12,14,22,25H,13,15H2,1H3,(H,33,37);1-8H,9H2;2-5,9,11H,6H2,1H3,(H,17,20)(H,18,19);1-4H,5H2;1-4H,(H,9,10);2H2,1H3/t22-,25+;;9-,11+;;;/m0.0.../s1
• InChIKey: COQHZCOYPKILMV-BDHOWIKXSA-N
• XLogP: 15.11
• TPSA: 197.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1519.01
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine?

The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine (CID 164966710) is 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine.

What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine?

The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine is Brc1ccc2[nH]ncc2c1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccc(F)cc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccc(F)cc1.CN.Fc1ccc(CBr)cc1.Fc1ccc(Cn2ncc3cc(Br)ccc32)cc1.

What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine?

The InChIKey is COQHZCOYPKILMV-BDHOWIKXSA-N. The full InChI is InChI=1S/C27H22F4N4O2.C14H10BrFN2.C13H13F3N2O2.C7H6BrF.C7H5BrN2.CH5N/c1-27(30,31)26(37)33-22-13-24(36)35(25(22)17-4-8-20(29)9-5-17)21-10-11-23-18(12-21)14-32-34(23)15-16-2-6-19(28)7-3-16;15-12-3-6-14-11(7-12)8-17-18(14)9-10-1-4-13(16)5-2-10;1-13(15,16)12(20)17-9-6-10(19)18-11(9)7-2-4-8(14)5-3-7;8-5-6-1-3-7(9)4-2-6;8-6-1-2-7-5(3-6)4-9-10-7;1-2/h2-12,14,22,25H,13,15H2,1H3,(H,33,37);1-8H,9H2;2-5,9,11H,6H2,1H3,(H,17,20)(H,18,19);1-4H,5H2;1-4H,(H,9,10);2H2,1H3/t22-,25+;;9-,11+;;;/m0.0.../s1.

What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine?

5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1519.01 g/mol, XLogP of 15.11, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-[(4-fluorophenyl)methyl]indazole;5-bromo-1H-indazole;1-(bromomethyl)-4-fluorobenzene;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 164966710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).