5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate

C144H135BrCl9N25O10 — CID 159454141

IUPAC5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCCC(c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCC[C@@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCC[C@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)/C=C(/c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)CC(c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)C[C@@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)C[C@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.Clc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C18H15ClN2O2.3C17H16ClN3O2.C17H14ClN3O2.3C17H18ClN3.C7H4BrClN2/c1-2-23-17(22)11-14(12-6-4-3-5-7-12)13-8-9-16-15(10-13)18(19)21-20-16;4*1-19-23-16(22)10-13(11-5-3-2-4-6-11)12-7-8-15-14(9-12)17(18)21-20-15;3*1-19-10-9-14(12-5-3-2-4-6-12)13-7-8-16-15(11-13)17(18)21-20-16;8-4-1-2-6-5(3-4)7(9)11-10-6/h3-11H,2H2,1H3,(H,20,21);3*2-9,13,19H,10H2,1H3,(H,20,21);2-10,19H,1H3,(H,20,21);3*2-8,11,14,19H,9-10H2,1H3,(H,20,21);1-3H,(H,10,11)/b14-11-;;;;13-10-;;;;/t;2*13-;;;2*14-;;/m.10..10../s1
InChIKeyLTTFGWRARQFIPH-BJUBDEKLSA-N
MW2774.81 g/mol
LogP32.64
Rot. Bonds38

About 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate

5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate (PubChem CID 159454141) has the molecular formula C144H135BrCl9N25O10 and a molecular weight of 2774.81 g/mol. Its IUPAC name is 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate
PubChem CID159454141
Molecular FormulaC144H135BrCl9N25O10
Molecular Weight2774.81 g/mol
Exact Mass2767.72
IUPAC Name5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCCC(c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCC[C@@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCC[C@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)/C=C(/c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)CC(c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)C[C@@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)C[C@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.Clc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C18H15ClN2O2.3C17H16ClN3O2.C17H14ClN3O2.3C17H18ClN3.C7H4BrClN2/c1-2-23-17(22)11-14(12-6-4-3-5-7-12)13-8-9-16-15(10-13)18(19)21-20-16;4*1-19-23-16(22)10-13(11-5-3-2-4-6-11)12-7-8-15-14(9-12)17(18)21-20-15;3*1-19-10-9-14(12-5-3-2-4-6-12)13-7-8-16-15(11-13)17(18)21-20-16;8-4-1-2-6-5(3-4)7(9)11-10-6/h3-11H,2H2,1H3,(H,20,21);3*2-9,13,19H,10H2,1H3,(H,20,21);2-10,19H,1H3,(H,20,21);3*2-8,11,14,19H,9-10H2,1H3,(H,20,21);1-3H,(H,10,11)/b14-11-;;;;13-10-;;;;/t;2*13-;;;2*14-;;/m.10..10../s1
InChIKeyLTTFGWRARQFIPH-BJUBDEKLSA-N
XLogP32.64
TPSA473.83 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002774.81
LogP ≤ 532.64
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate?
The IUPAC name of 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate (CID 159454141) is 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate.
What is the SMILES notation for 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate?
The canonical SMILES for 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate is CCOC(=O)/C=C(/c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCCC(c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCC[C@@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNCC[C@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)/C=C(/c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)CC(c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)C[C@@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.CNOC(=O)C[C@H](c1ccccc1)c1ccc2n[nH]c(Cl)c2c1.Clc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate?
The InChIKey is LTTFGWRARQFIPH-BJUBDEKLSA-N. The full InChI is InChI=1S/C18H15ClN2O2.3C17H16ClN3O2.C17H14ClN3O2.3C17H18ClN3.C7H4BrClN2/c1-2-23-17(22)11-14(12-6-4-3-5-7-12)13-8-9-16-15(10-13)18(19)21-20-16;4*1-19-23-16(22)10-13(11-5-3-2-4-6-11)12-7-8-15-14(9-12)17(18)21-20-15;3*1-19-10-9-14(12-5-3-2-4-6-12)13-7-8-16-15(11-13)17(18)21-20-16;8-4-1-2-6-5(3-4)7(9)11-10-6/h3-11H,2H2,1H3,(H,20,21);3*2-9,13,19H,10H2,1H3,(H,20,21);2-10,19H,1H3,(H,20,21);3*2-8,11,14,19H,9-10H2,1H3,(H,20,21);1-3H,(H,10,11)/b14-11-;;;;13-10-;;;;/t;2*13-;;;2*14-;;/m.10..10../s1.
What are the key properties of 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate?
5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate has a molecular weight of 2774.81 g/mol, XLogP of 32.64, 38 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2H-indazole;3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3R)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;(3S)-3-(3-chloro-2H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine;ethyl (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate;methylamino 3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3R)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoate;methylamino (Z)-3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate is sourced from PubChem (CID 159454141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).