3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride

C119H119Cl12N19O11 — CID 158258630

About 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride

3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride (PubChem CID 158258630) has the molecular formula C119H119Cl12N19O11 and a molecular weight of 2416.82 g/mol. Its IUPAC name is 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride.

Molecular Properties

• Compound Name: 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride
• PubChem CID: 158258630
• Molecular Formula: C119H119Cl12N19O11
• Molecular Weight: 2416.82 g/mol
• Exact Mass: 2409.56
• IUPAC Name: 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride
• SMILES: CN(CCCC(=O)O)CCOc1ccc(-n2nc3ccccc3c2Cl)cc1.CN(CCOc1ccc(-n2nc3ccccc3c2Cl)cc1)CCC(=O)O.CNCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Cl.Cl.Cl.Cl.ClCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Clc1c2ccccc2nn1-c1ccc(OC[C@@H]2CCCN2)cc1.Clc1c2ccccc2nn1-c1ccc(OC[C@H]2CCCN2)cc1.Oc1ccc(-n2nc3ccccc3c2Cl)cc1
• InChI: InChI=1S/C20H22ClN3O3.C19H20ClN3O3.2C18H18ClN3O.C16H16ClN3O.C15H12Cl2N2O.C13H9ClN2O.4ClH/c1-23(12-4-7-19(25)26)13-14-27-16-10-8-15(9-11-16)24-20(21)17-5-2-3-6-18(17)22-24;1-22(11-10-18(24)25)12-13-26-15-8-6-14(7-9-15)23-19(20)16-4-2-3-5-17(16)21-23;2*19-18-16-5-1-2-6-17(16)21-22(18)14-7-9-15(10-8-14)23-12-13-4-3-11-20-13;1-18-10-11-21-13-8-6-12(7-9-13)20-16(17)14-4-2-3-5-15(14)19-20;16-9-10-20-12-7-5-11(6-8-12)19-15(17)13-3-1-2-4-14(13)18-19;14-13-11-3-1-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9;;;;/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,25,26);2-9H,10-13H2,1H3,(H,24,25);2*1-2,5-10,13,20H,3-4,11-12H2;2-9,18H,10-11H2,1H3;1-8H,9-10H2;1-8,17H;4*1H/t;;2*13-;;;;;;;/m..10......./s1
• InChIKey: MFHICJVLXLVLLO-OPIUEPCVSA-N
• XLogP: 27.58
• TPSA: 317.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.82
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride?

The IUPAC name of 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride (CID 158258630) is 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride.

What is the SMILES notation for 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride?

The canonical SMILES for 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride is CN(CCCC(=O)O)CCOc1ccc(-n2nc3ccccc3c2Cl)cc1.CN(CCOc1ccc(-n2nc3ccccc3c2Cl)cc1)CCC(=O)O.CNCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Cl.Cl.Cl.Cl.ClCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Clc1c2ccccc2nn1-c1ccc(OC[C@@H]2CCCN2)cc1.Clc1c2ccccc2nn1-c1ccc(OC[C@H]2CCCN2)cc1.Oc1ccc(-n2nc3ccccc3c2Cl)cc1.

What is the InChIKey of 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride?

The InChIKey is MFHICJVLXLVLLO-OPIUEPCVSA-N. The full InChI is InChI=1S/C20H22ClN3O3.C19H20ClN3O3.2C18H18ClN3O.C16H16ClN3O.C15H12Cl2N2O.C13H9ClN2O.4ClH/c1-23(12-4-7-19(25)26)13-14-27-16-10-8-15(9-11-16)24-20(21)17-5-2-3-6-18(17)22-24;1-22(11-10-18(24)25)12-13-26-15-8-6-14(7-9-15)23-19(20)16-4-2-3-5-17(16)21-23;2*19-18-16-5-1-2-6-17(16)21-22(18)14-7-9-15(10-8-14)23-12-13-4-3-11-20-13;1-18-10-11-21-13-8-6-12(7-9-13)20-16(17)14-4-2-3-5-15(14)19-20;16-9-10-20-12-7-5-11(6-8-12)19-15(17)13-3-1-2-4-14(13)18-19;14-13-11-3-1-2-4-12(11)15-16(13)9-5-7-10(17)8-6-9;;;;/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,25,26);2-9H,10-13H2,1H3,(H,24,25);2*1-2,5-10,13,20H,3-4,11-12H2;2-9,18H,10-11H2,1H3;1-8H,9-10H2;1-8,17H;4*1H/t;;2*13-;;;;;;;/m..10......./s1.

What are the key properties of 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride?

3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride has a molecular weight of 2416.82 g/mol, XLogP of 27.58, 35 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-[4-(2-chloroethoxy)phenyl]indazole;4-(3-chloroindazol-2-yl)phenol;4-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]butanoic acid;3-[2-[4-(3-chloroindazol-2-yl)phenoxy]ethyl-methylamino]propanoic acid;2-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylethanamine;3-chloro-2-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]indazole;3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole;tetrahydrochloride is sourced from PubChem (CID 158258630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).