5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C86H66Cl8N10O9 — CID 158469219

IUPAC5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
SMILESCCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.Cc1noc(-c2cc3c4ccccc4n(Cc4cc(Cl)ccc4Cl)c3cn2)n1.O=C(OCCO)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1
InChIInChI=1S/C22H18Cl2N2O3.C22H18Cl2N2O2.C21H14Cl2N4O.C21H16Cl2N2O3/c1-28-8-9-29-22(27)19-11-17-16-4-2-3-5-20(16)26(21(17)12-25-19)13-14-10-15(23)6-7-18(14)24;1-2-9-28-22(27)19-11-17-16-5-3-4-6-20(16)26(21(17)12-25-19)13-14-10-15(23)7-8-18(14)24;1-12-25-21(28-26-12)18-9-16-15-4-2-3-5-19(15)27(20(16)10-24-18)11-13-8-14(22)6-7-17(13)23;22-14-5-6-17(23)13(9-14)12-25-19-4-2-1-3-15(19)16-10-18(24-11-20(16)25)21(27)28-8-7-26/h2-7,10-12H,8-9,13H2,1H3;3-8,10-12H,2,9,13H2,1H3;2-10H,11H2,1H3;1-6,9-11,26H,7-8,12H2
InChIKeyHGDIJLCGEBBBTN-UHFFFAOYSA-N
MW1667.16 g/mol
LogP22.06
Rot. Bonds19

About 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 158469219) has the molecular formula C86H66Cl8N10O9 and a molecular weight of 1667.16 g/mol. Its IUPAC name is 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Name5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
PubChem CID158469219
Molecular FormulaC86H66Cl8N10O9
Molecular Weight1667.16 g/mol
Exact Mass1662.25
IUPAC Name5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
SMILESCCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.Cc1noc(-c2cc3c4ccccc4n(Cc4cc(Cl)ccc4Cl)c3cn2)n1.O=C(OCCO)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1
InChIInChI=1S/C22H18Cl2N2O3.C22H18Cl2N2O2.C21H14Cl2N4O.C21H16Cl2N2O3/c1-28-8-9-29-22(27)19-11-17-16-4-2-3-5-20(16)26(21(17)12-25-19)13-14-10-15(23)6-7-18(14)24;1-2-9-28-22(27)19-11-17-16-5-3-4-6-20(16)26(21(17)12-25-19)13-14-10-15(23)7-8-18(14)24;1-12-25-21(28-26-12)18-9-16-15-4-2-3-5-19(15)27(20(16)10-24-18)11-13-8-14(22)6-7-17(13)23;22-14-5-6-17(23)13(9-14)12-25-19-4-2-1-3-15(19)16-10-18(24-11-20(16)25)21(27)28-8-7-26/h2-7,10-12H,8-9,13H2,1H3;3-8,10-12H,2,9,13H2,1H3;2-10H,11H2,1H3;1-6,9-11,26H,7-8,12H2
InChIKeyHGDIJLCGEBBBTN-UHFFFAOYSA-N
XLogP22.06
TPSA218.56 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.16
LogP ≤ 522.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

Butyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;ethyl 9-[(5,6-dichloro-3-pyridinyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 157743509
2-(4-Ethoxycarbonylpiperazin-1-yl)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-(2-methylidene-5-oxopyrrolidin-1-yl)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 157842203
9-[(2,5-Dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 159200167
Butyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl cyclopropanecarboxylate;ethyl 9-[(5,6-dichloro-3-pyridinyl)methyl]pyrido[3,4-b]indole-3-carboxylate;ethyl 9-[(3-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 159904127
1-[9-[(2,5-Dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 160627199
9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylic acid;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-imidazol-1-ylmethanone;methyl 9H-pyrido[3,4-b]indole-3-carboxylate;9H-pyrido[3,4-b]indol-3-ylmethyl acetate
CID 160664329
2-(2,5-Dioxopyrrolidin-1-yl)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-(4-ethoxycarbonylpiperazin-1-yl)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 162116214
(E)-1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-N-methoxymethanimine;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate;2-morpholin-4-ylethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-2-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;3-pyridin-4-ylpropyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 172923575

Frequently Asked Questions

What is the IUPAC name of 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 158469219) is 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is CCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.Cc1noc(-c2cc3c4ccccc4n(Cc4cc(Cl)ccc4Cl)c3cn2)n1.O=C(OCCO)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.
What is the InChIKey of 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is HGDIJLCGEBBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3.C22H18Cl2N2O2.C21H14Cl2N4O.C21H16Cl2N2O3/c1-28-8-9-29-22(27)19-11-17-16-4-2-3-5-20(16)26(21(17)12-25-19)13-14-10-15(23)6-7-18(14)24;1-2-9-28-22(27)19-11-17-16-5-3-4-6-20(16)26(21(17)12-25-19)13-14-10-15(23)7-8-18(14)24;1-12-25-21(28-26-12)18-9-16-15-4-2-3-5-19(15)27(20(16)10-24-18)11-13-8-14(22)6-7-17(13)23;22-14-5-6-17(23)13(9-14)12-25-19-4-2-1-3-15(19)16-10-18(24-11-20(16)25)21(27)28-8-7-26/h2-7,10-12H,8-9,13H2,1H3;3-8,10-12H,2,9,13H2,1H3;2-10H,11H2,1H3;1-6,9-11,26H,7-8,12H2.
What are the key properties of 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 1667.16 g/mol, XLogP of 22.06, 19 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]-3-methyl-1,2,4-oxadiazole;2-hydroxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;2-methoxyethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 158469219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).