tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate

C25H26N4O3 — CID 134489141

IUPACtert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)nc3)cc21
InChIInChI=1S/C25H26N4O3/c1-25(2,3)32-24(30)29-14-18(15-29)31-23-8-6-17(12-27-23)16-5-7-19-20-13-26-10-9-21(20)28(4)22(19)11-16/h5-13,18H,14-15H2,1-4H3
InChIKeyFZVSCXOVMCZUCI-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.79
Rot. Bonds3

About tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate

tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate (PubChem CID 134489141) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
PubChem CID134489141
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Nametert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCn1c2ccncc2c2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)nc3)cc21
InChIInChI=1S/C25H26N4O3/c1-25(2,3)32-24(30)29-14-18(15-29)31-23-8-6-17(12-27-23)16-5-7-19-20-13-26-10-9-21(20)28(4)22(19)11-16/h5-13,18H,14-15H2,1-4H3
InChIKeyFZVSCXOVMCZUCI-UHFFFAOYSA-N
XLogP4.79
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidine-1-carboxylate
CID 165370931
tert-butyl 4-[2-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]ethoxy]piperidine-1-carboxylate
CID 134489357
tert-butyl 3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-2-pyridinyl]prop-2-ynoxy]azetidine-1-carboxylate
CID 134489258
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
7-[6-[3-[(5-iodo-2-pyridinyl)oxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 134481426
5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
CID 134493002
2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyacetaldehyde
CID 165371634
tert-butyl 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylate
CID 134481685
tert-butyl N-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenoxy]cyclobutyl]carbamate
CID 165371294
5-methyl-7-[6-[3-(phenylmethoxymethyl)cyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
CID 134489198
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate (CID 134489141) is tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate is Cn1c2ccncc2c2ccc(-c3ccc(OC4CN(C(=O)OC(C)(C)C)C4)nc3)cc21.
What is the InChIKey of tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The InChIKey is FZVSCXOVMCZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-25(2,3)32-24(30)29-14-18(15-29)31-23-8-6-17(12-27-23)16-5-7-19-20-13-26-10-9-21(20)28(4)22(19)11-16/h5-13,18H,14-15H2,1-4H3.
What are the key properties of tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 134489141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).