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

C22H21N3O2 — CID 134492881

IUPAC7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole
SMILESCOCC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C22H21N3O2/c1-26-13-14-8-17(9-14)27-22-5-3-16(11-24-22)15-2-4-18-19-12-23-7-6-20(19)25-21(18)10-15/h2-7,10-12,14,17,25H,8-9,13H2,1H3
InChIKeySAJQAWMZCNMHDK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.58
Rot. Bonds5

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

7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole (PubChem CID 134492881) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole
PubChem CID134492881
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole
SMILESCOCC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C22H21N3O2/c1-26-13-14-8-17(9-14)27-22-5-3-16(11-24-22)15-2-4-18-19-12-23-7-6-20(19)25-21(18)10-15/h2-7,10-12,14,17,25H,8-9,13H2,1H3
InChIKeySAJQAWMZCNMHDK-UHFFFAOYSA-N
XLogP4.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
3-[(2S)-2-amino-3-({5-[2-(pyridin-4-yl)ethynyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237197
3-Isobutoxy-9H-beta-carboline
CID 10333698
3-Benzyloxy-9H-beta-carboline
CID 10335601
3-sec-Butoxy-9H-beta-carboline
CID 11778239
3-(3-Methyl-butoxy)-9H-beta-carboline
CID 11779007

Frequently Asked Questions

What is the IUPAC name of 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole (CID 134492881) is 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole is COCC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1.
What is the InChIKey of 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole?
The InChIKey is SAJQAWMZCNMHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-26-13-14-8-17(9-14)27-22-5-3-16(11-24-22)15-2-4-18-19-12-23-7-6-20(19)25-21(18)10-15/h2-7,10-12,14,17,25H,8-9,13H2,1H3.
What are the key properties of 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole?
7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole has a molecular weight of 359.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[3-(methoxymethyl)cyclobutyl]oxy-3-pyridinyl]-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 134492881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).