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

C58H60N10O4 — CID 167672831

IUPACbenzyl 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
SMILESCn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCN(C(=O)OCc6ccccc6)CC5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCNCC5)C4)nc3)cc21
InChIInChI=1S/C33H33N5O3.C25H27N5O/c1-36-30-11-14-34-19-29(30)28-9-7-24(17-31(28)36)25-8-10-32(35-18-25)38-20-27(21-38)41-26-12-15-37(16-13-26)33(39)40-22-23-5-3-2-4-6-23;1-29-23-8-11-27-14-22(23)21-4-2-17(12-24(21)29)18-3-5-25(28-13-18)30-15-20(16-30)31-19-6-9-26-10-7-19/h2-11,14,17-19,26-27H,12-13,15-16,20-22H2,1H3;2-5,8,11-14,19-20,26H,6-7,9-10,15-16H2,1H3
InChIKeyUJNJYCDVYAFUSA-UHFFFAOYSA-N
MW961.18 g/mol
LogP9.54
Rot. Bonds10

About 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

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 (PubChem CID 167672831) has the molecular formula C58H60N10O4 and a molecular weight of 961.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID167672831
Molecular FormulaC58H60N10O4
Molecular Weight961.18 g/mol
Exact Mass960.48
IUPAC Namebenzyl 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
SMILESCn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCN(C(=O)OCc6ccccc6)CC5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCNCC5)C4)nc3)cc21
InChIInChI=1S/C33H33N5O3.C25H27N5O/c1-36-30-11-14-34-19-29(30)28-9-7-24(17-31(28)36)25-8-10-32(35-18-25)38-20-27(21-38)41-26-12-15-37(16-13-26)33(39)40-22-23-5-3-2-4-6-23;1-29-23-8-11-27-14-22(23)21-4-2-17(12-24(21)29)18-3-5-25(28-13-18)30-15-20(16-30)31-19-6-9-26-10-7-19/h2-11,14,17-19,26-27H,12-13,15-16,20-22H2,1H3;2-5,8,11-14,19-20,26H,6-7,9-10,15-16H2,1H3
InChIKeyUJNJYCDVYAFUSA-UHFFFAOYSA-N
XLogP9.54
TPSA127.93 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.18
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]ethyl]piperidin-1-yl]isoindole-1,3-dione
CID 174192551
5-methyl-7-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
CID 134489198
3-[6-[4-[2-[4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165371380
tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 134489141
7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine
CID 155584881
benzyl 4-[3-(1-methylpyrazol-4-yl)-6-piperazin-1-ylpyrrolo[2,3-b]pyridin-1-yl]piperidine-1-carboxylate
CID 139425851
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
benzyl 4-[1-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate
CID 146404562

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCN(C(=O)OCc6ccccc6)CC5)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCNCC5)C4)nc3)cc21.
What is the InChIKey of 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?
The InChIKey is UJNJYCDVYAFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O3.C25H27N5O/c1-36-30-11-14-34-19-29(30)28-9-7-24(17-31(28)36)25-8-10-32(35-18-25)38-20-27(21-38)41-26-12-15-37(16-13-26)33(39)40-22-23-5-3-2-4-6-23;1-29-23-8-11-27-14-22(23)21-4-2-17(12-24(21)29)18-3-5-25(28-13-18)30-15-20(16-30)31-19-6-9-26-10-7-19/h2-11,14,17-19,26-27H,12-13,15-16,20-22H2,1H3;2-5,8,11-14,19-20,26H,6-7,9-10,15-16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 961.18 g/mol, XLogP of 9.54, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167672831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).