5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate

C113H126Br3N35O15 — CID 157140529

About 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate

5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate (PubChem CID 157140529) has the molecular formula C113H126Br3N35O15 and a molecular weight of 2454.19 g/mol. Its IUPAC name is 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate
• PubChem CID: 157140529
• Molecular Formula: C113H126Br3N35O15
• Molecular Weight: 2454.19 g/mol
• Exact Mass: 2449.77
• IUPAC Name: 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CC2)nn1.CC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CO2)nn1.CC(C)Cc1ccc(C(C)C(=O)NCc2cn(CC3CC3)nn2)cc1.Cn1cc(C(=O)NCc2cn(C[C@@H]3CO3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2ccccc21.Cn1nc(C(=O)NCc2cn(C[C@@H]3CO3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(C[C@H]3CO3)nn2)c2cc(Br)ccc21
• InChI: InChI=1S/C20H28N4O.C16H16BrN5O2.C16H18N6O.C16H18N4O3.2C15H15BrN6O2.C15H16N4O4/c1-14(2)10-16-6-8-18(9-7-16)15(3)20(25)21-11-19-13-24(23-22-19)12-17-4-5-17;1-21-8-14(13-4-10(17)2-3-15(13)21)16(23)18-5-11-6-22(20-19-11)7-12-9-24-12;1-21-14-5-3-2-4-13(14)15(19-21)16(23)17-8-12-10-22(20-18-12)9-11-6-7-11;1-11(21)23-15-5-3-2-4-14(15)16(22)17-8-13-10-20(19-18-13)9-12-6-7-12;2*1-21-13-3-2-9(16)4-12(13)14(19-21)15(23)17-5-10-6-22(20-18-10)7-11-8-24-11;1-10(20)23-14-5-3-2-4-13(14)15(21)16-6-11-7-19(18-17-11)8-12-9-22-12/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25);2-4,6,8,12H,5,7,9H2,1H3,(H,18,23);2-5,10-11H,6-9H2,1H3,(H,17,23);2-5,10,12H,6-9H2,1H3,(H,17,22);2*2-4,6,11H,5,7-8H2,1H3,(H,17,23);2-5,7,12H,6,8-9H2,1H3,(H,16,21)/t;12-;;;2*11-;/m.1..10./s1
• InChIKey: AKDDXMRQMSWDFY-JNKUJZFTSA-N
• XLogP: 11.26
• TPSA: 579.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 40
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.19
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate?

The IUPAC name of 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate (CID 157140529) is 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate.

What is the SMILES notation for 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate?

The canonical SMILES for 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CC2)nn1.CC(=O)Oc1ccccc1C(=O)NCc1cn(CC2CO2)nn1.CC(C)Cc1ccc(C(C)C(=O)NCc2cn(CC3CC3)nn2)cc1.Cn1cc(C(=O)NCc2cn(C[C@@H]3CO3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(CC3CC3)nn2)c2ccccc21.Cn1nc(C(=O)NCc2cn(C[C@@H]3CO3)nn2)c2cc(Br)ccc21.Cn1nc(C(=O)NCc2cn(C[C@H]3CO3)nn2)c2cc(Br)ccc21.

What is the InChIKey of 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate?

The InChIKey is AKDDXMRQMSWDFY-JNKUJZFTSA-N. The full InChI is InChI=1S/C20H28N4O.C16H16BrN5O2.C16H18N6O.C16H18N4O3.2C15H15BrN6O2.C15H16N4O4/c1-14(2)10-16-6-8-18(9-7-16)15(3)20(25)21-11-19-13-24(23-22-19)12-17-4-5-17;1-21-8-14(13-4-10(17)2-3-15(13)21)16(23)18-5-11-6-22(20-19-11)7-12-9-24-12;1-21-14-5-3-2-4-13(14)15(19-21)16(23)17-8-12-10-22(20-18-12)9-11-6-7-11;1-11(21)23-15-5-3-2-4-14(15)16(22)17-8-13-10-20(19-18-13)9-12-6-7-12;2*1-21-13-3-2-9(16)4-12(13)14(19-21)15(23)17-5-10-6-22(20-18-10)7-11-8-24-11;1-10(20)23-14-5-3-2-4-13(14)15(21)16-6-11-7-19(18-17-11)8-12-9-22-12/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25);2-4,6,8,12H,5,7,9H2,1H3,(H,18,23);2-5,10-11H,6-9H2,1H3,(H,17,23);2-5,10,12H,6-9H2,1H3,(H,17,22);2*2-4,6,11H,5,7-8H2,1H3,(H,17,23);2-5,7,12H,6,8-9H2,1H3,(H,16,21)/t;12-;;;2*11-;/m.1..10./s1.

What are the key properties of 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate?

5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate has a molecular weight of 2454.19 g/mol, XLogP of 11.26, 40 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 157140529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).