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

C20H17N3O — CID 134492791

IUPAC7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole
SMILESc1cc2[nH]c3cc(-c4ccc(OC5CCC5)nc4)ccc3c2cn1
InChIInChI=1S/C20H17N3O/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/h4-12,15,23H,1-3H2
InChIKeyZZSUGEHMLUUANU-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.71
Rot. Bonds3

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

7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole (PubChem CID 134492791) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole
PubChem CID134492791
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole
SMILESc1cc2[nH]c3cc(-c4ccc(OC5CCC5)nc4)ccc3c2cn1
InChIInChI=1S/C20H17N3O/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/h4-12,15,23H,1-3H2
InChIKeyZZSUGEHMLUUANU-UHFFFAOYSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Benzyloxy)tryptamine
CID 89576
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
5-(Nonyloxy)tryptamine
CID 1797
3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
3-Ethoxy-beta-carboline
CID 124477
3-Isopropoxy-9H-beta-carboline
CID 4713435
3-Butoxy-9H-beta-carboline
CID 4713436
3-Propoxy-beta-carboline
CID 4713437
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 10194205

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole (CID 134492791) is 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole is c1cc2[nH]c3cc(-c4ccc(OC5CCC5)nc4)ccc3c2cn1.
What is the InChIKey of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The InChIKey is ZZSUGEHMLUUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/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/h4-12,15,23H,1-3H2.
What are the key properties of 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole?
7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole has a molecular weight of 315.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclobutyloxy-3-pyridinyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 134492791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).