8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H26FN3 — CID 67206409

IUPAC8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCc1cc(C)c2c(c1)c1c(n2CCc2cncc(F)c2)CCN(C)C1
InChIInChI=1S/C22H26FN3/c1-4-16-9-15(2)22-19(11-16)20-14-25(3)7-6-21(20)26(22)8-5-17-10-18(23)13-24-12-17/h9-13H,4-8,14H2,1-3H3
InChIKeyRLMRLCCLOHKJTK-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.28
Rot. Bonds4

About 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 67206409) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID67206409
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCc1cc(C)c2c(c1)c1c(n2CCc2cncc(F)c2)CCN(C)C1
InChIInChI=1S/C22H26FN3/c1-4-16-9-15(2)22-19(11-16)20-14-25(3)7-6-21(20)26(22)8-5-17-10-18(23)13-24-12-17/h9-13H,4-8,14H2,1-3H3
InChIKeyRLMRLCCLOHKJTK-UHFFFAOYSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 25233167
8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550833
2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-(trifluoromethoxy)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 71569642
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048
8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 146061141
8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550813
2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 143825782
6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride
CID 138393193
7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 68715484
8-fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46225027
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;ethane
CID 143998170
2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 25233338

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 67206409) is 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCc1cc(C)c2c(c1)c1c(n2CCc2cncc(F)c2)CCN(C)C1.
What is the InChIKey of 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is RLMRLCCLOHKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-4-16-9-15(2)22-19(11-16)20-14-25(3)7-6-21(20)26(22)8-5-17-10-18(23)13-24-12-17/h9-13H,4-8,14H2,1-3H3.
What are the key properties of 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 351.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 67206409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).