7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde

C21H19N3O2 — CID 142365403

IUPAC7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde
SMILESC=O.c1cc2[nH]c3cc(-c4ccc(OC5CCC5)nc4)ccc3c2cn1
InChIInChI=1S/C20H17N3O.CH2O/c1-2-15(3-1)24-20-7-5-14(11-22-20)13-4-6-16-17-12-21-9-8-18(17)23-19(16)10-13;1-2/h4-12,15,23H,1-3H2;1H2
InChIKeyQSXPJANWFVPRKM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.52
Rot. Bonds3

About 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde

7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde (PubChem CID 142365403) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde.

Molecular Properties

Compound Name7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde
PubChem CID142365403
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde
SMILESC=O.c1cc2[nH]c3cc(-c4ccc(OC5CCC5)nc4)ccc3c2cn1
InChIInChI=1S/C20H17N3O.CH2O/c1-2-15(3-1)24-20-7-5-14(11-22-20)13-4-6-16-17-12-21-9-8-18(17)23-19(16)10-13;1-2/h4-12,15,23H,1-3H2;1H2
InChIKeyQSXPJANWFVPRKM-UHFFFAOYSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxymethanol
CID 167423183
7-[6-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
CID 175762536
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-[3-[[6-(3-phenylmethoxyprop-1-ynyl)-3-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole
CID 134581735
3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal
CID 134481387
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione
CID 167560544
2-(2,6-dioxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione
CID 134481353
7-(5-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 155585000
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 134481334
2-cyclobutyloxy-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine
CID 155583595
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-oxo-6-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]hexoxy]isoindole-1,3-dione
CID 167636970

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde?
The IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde (CID 142365403) is 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde.
What is the SMILES notation for 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde?
The canonical SMILES for 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde is C=O.c1cc2[nH]c3cc(-c4ccc(OC5CCC5)nc4)ccc3c2cn1.
What is the InChIKey of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde?
The InChIKey is QSXPJANWFVPRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O.CH2O/c1-2-15(3-1)24-20-7-5-14(11-22-20)13-4-6-16-17-12-21-9-8-18(17)23-19(16)10-13;1-2/h4-12,15,23H,1-3H2;1H2.
What are the key properties of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde?
7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde has a molecular weight of 345.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole;formaldehyde is sourced from PubChem (CID 142365403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).