2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol

C25H29N3O6 — CID 167423183

IUPAC2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol
SMILESOCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C25H29N3O6/c29-18-33-12-11-31-8-7-30-9-10-32-13-14-34-25-4-2-20(16-27-25)19-1-3-21-22-17-26-6-5-23(22)28-24(21)15-19/h1-6,15-17,28-29H,7-14,18H2
InChIKeyNHWDALPGJUCHQM-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.17
Rot. Bonds15

About 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol

2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol (PubChem CID 167423183) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol
PubChem CID167423183
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol
SMILESOCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C25H29N3O6/c29-18-33-12-11-31-8-7-30-9-10-32-13-14-34-25-4-2-20(16-27-25)19-1-3-21-22-17-26-6-5-23(22)28-24(21)15-19/h1-6,15-17,28-29H,7-14,18H2
InChIKeyNHWDALPGJUCHQM-UHFFFAOYSA-N
XLogP3.17
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
CID 175762536
7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde
CID 142365403
2-[2-[2-[2-[2-[5-(5H-pyrido[4,3-b]indol-7-yl)cyclohepta-1,2,4,6-tetraen-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176547811
N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
CID 147002776
7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 134488720
7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid
CID 151565462
3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal
CID 134481387
3-chloro-4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-N-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl]benzamide
CID 177107873
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
5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylbenzaldehyde
CID 142365152
7-(5-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 155585000
N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide
CID 158595960

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol?
The IUPAC name of 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol (CID 167423183) is 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol.
What is the SMILES notation for 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol?
The canonical SMILES for 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol is OCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol?
The InChIKey is NHWDALPGJUCHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c29-18-33-12-11-31-8-7-30-9-10-32-13-14-34-25-4-2-20(16-27-25)19-1-3-21-22-17-26-6-5-23(22)28-24(21)15-19/h1-6,15-17,28-29H,7-14,18H2.
What are the key properties of 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol?
2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol has a molecular weight of 467.52 g/mol, XLogP of 3.17, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol is sourced from PubChem (CID 167423183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).