benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

C106H111BBr2N14O13 — CID 167700455

IUPACbenzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CCN(C(=O)OCc5ccccc5)CC4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CCNCC4)nc3)cc21.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.O=C(OCc1ccccc1)N1CCC(O)CC1.O=C(OCc1ccccc1)N1CCC(Oc2ccc(Br)cn2)CC1.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C30H28N4O3.C22H22N4O.C18H21BN2O2.C18H19BrN2O3.C13H17NO3.C5H4BrNO/c1-33-27-11-14-31-19-26(27)25-9-7-22(17-28(25)33)23-8-10-29(32-18-23)37-24-12-15-34(16-13-24)30(35)36-20-21-5-3-2-4-6-21;1-26-20-8-11-24-14-19(20)18-4-2-15(12-21(18)26)16-3-5-22(25-13-16)27-17-6-9-23-10-7-17;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;19-15-6-7-17(20-12-15)24-16-8-10-21(11-9-16)18(22)23-13-14-4-2-1-3-5-14;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;6-4-1-2-5(8)7-3-4/h2-11,14,17-19,24H,12-13,15-16,20H2,1H3;2-5,8,11-14,17,23H,6-7,9-10H2,1H3;6-11H,1-5H3;1-7,12,16H,8-11,13H2;1-5,12,15H,6-10H2;1-3H,(H,7,8)
InChIKeyYHLBFGRPKFGGND-UHFFFAOYSA-N
MW1959.76 g/mol
LogP19.85
Rot. Bonds15

About benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (PubChem CID 167700455) has the molecular formula C106H111BBr2N14O13 and a molecular weight of 1959.76 g/mol. Its IUPAC name is benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

Molecular Properties

Compound Namebenzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
PubChem CID167700455
Molecular FormulaC106H111BBr2N14O13
Molecular Weight1959.76 g/mol
Exact Mass1956.69
IUPAC Namebenzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CCN(C(=O)OCc5ccccc5)CC4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CCNCC4)nc3)cc21.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.O=C(OCc1ccccc1)N1CCC(O)CC1.O=C(OCc1ccccc1)N1CCC(Oc2ccc(Br)cn2)CC1.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C30H28N4O3.C22H22N4O.C18H21BN2O2.C18H19BrN2O3.C13H17NO3.C5H4BrNO/c1-33-27-11-14-31-19-26(27)25-9-7-22(17-28(25)33)23-8-10-29(32-18-23)37-24-12-15-34(16-13-24)30(35)36-20-21-5-3-2-4-6-21;1-26-20-8-11-24-14-19(20)18-4-2-15(12-21(18)26)16-3-5-22(25-13-16)27-17-6-9-23-10-7-17;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;19-15-6-7-17(20-12-15)24-16-8-10-21(11-9-16)18(22)23-13-14-4-2-1-3-5-14;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;6-4-1-2-5(8)7-3-4/h2-11,14,17-19,24H,12-13,15-16,20H2,1H3;2-5,8,11-14,17,23H,6-7,9-10H2,1H3;6-11H,1-5H3;1-7,12,16H,8-11,13H2;1-5,12,15H,6-10H2;1-3H,(H,7,8)
InChIKeyYHLBFGRPKFGGND-UHFFFAOYSA-N
XLogP19.85
TPSA292.02 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.76
LogP ≤ 519.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

benzyl 4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidine-1-carboxylate;5-methyl-7-[6-(3-piperidin-4-yloxyazetidin-1-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 167672831
benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole
CID 167672439
5-methyl-7-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
CID 134489198
tert-butyl 3-[2-[3-[2-[3-[(5-bromo-2-pyridinyl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;tert-butyl 3-[2-[3-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine-1-carboxylate;4,4,5,5-tetramethyl-2-(5-methylpyrido[4,3-b]indol-7-yl)-1,3,2-dioxazolidine
CID 167540710
tert-butyl 3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]azetidine-1-carboxylate
CID 155583156
tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 134489141
7-[6-[3-[(4-ethylpiperidin-1-yl)methyl]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 170936025
2-[3-(azetidin-3-yloxy)propoxy]-1-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 134489294
CID 167652450
CID 167652450
CID 167610329
CID 167610329
2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]piperidin-1-yl]-5-oxopentoxy]isoindole-1,3-dione
CID 134492773
benzyl 4-(5-bromopyridine-2-carbonyl)piperidine-1-carboxylate
CID 23627077

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?
The IUPAC name of benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (CID 167700455) is benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.
What is the SMILES notation for benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?
The canonical SMILES for benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is Cn1c2ccncc2c2ccc(-c3ccc(OC4CCN(C(=O)OCc5ccccc5)CC4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CCNCC4)nc3)cc21.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.O=C(OCc1ccccc1)N1CCC(O)CC1.O=C(OCc1ccccc1)N1CCC(Oc2ccc(Br)cn2)CC1.O=c1ccc(Br)c[nH]1.
What is the InChIKey of benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?
The InChIKey is YHLBFGRPKFGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3.C22H22N4O.C18H21BN2O2.C18H19BrN2O3.C13H17NO3.C5H4BrNO/c1-33-27-11-14-31-19-26(27)25-9-7-22(17-28(25)33)23-8-10-29(32-18-23)37-24-12-15-34(16-13-24)30(35)36-20-21-5-3-2-4-6-21;1-26-20-8-11-24-14-19(20)18-4-2-15(12-21(18)26)16-3-5-22(25-13-16)27-17-6-9-23-10-7-17;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;19-15-6-7-17(20-12-15)24-16-8-10-21(11-9-16)18(22)23-13-14-4-2-1-3-5-14;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;6-4-1-2-5(8)7-3-4/h2-11,14,17-19,24H,12-13,15-16,20H2,1H3;2-5,8,11-14,17,23H,6-7,9-10H2,1H3;6-11H,1-5H3;1-7,12,16H,8-11,13H2;1-5,12,15H,6-10H2;1-3H,(H,7,8).
What are the key properties of benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?
benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole has a molecular weight of 1959.76 g/mol, XLogP of 19.85, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 167700455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).