2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol

C21H24FN3O — CID 25233849

IUPAC2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol
SMILESCc1ccc2c(c1)c1c(n2CCc2cncc(F)c2)CCN(CCO)C1
InChIInChI=1S/C21H24FN3O/c1-15-2-3-20-18(10-15)19-14-24(8-9-26)6-5-21(19)25(20)7-4-16-11-17(22)13-23-12-16/h2-3,10-13,26H,4-9,14H2,1H3
InChIKeySJZZIJCMLIJBGN-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.08
Rot. Bonds5

About 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol

2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol (PubChem CID 25233849) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol
PubChem CID25233849
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol
SMILESCc1ccc2c(c1)c1c(n2CCc2cncc(F)c2)CCN(CCO)C1
InChIInChI=1S/C21H24FN3O/c1-15-2-3-20-18(10-15)19-14-24(8-9-26)6-5-21(19)25(20)7-4-16-11-17(22)13-23-12-16/h2-3,10-13,26H,4-9,14H2,1H3
InChIKeySJZZIJCMLIJBGN-UHFFFAOYSA-N
XLogP3.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol with MolForge

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Related Compounds

Latrepirdine
CID 197033
Avn-101
CID 42631003
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
Gevotroline
CID 60547
Decussine
CID 156336
NOP agonist-2
CID 129188443
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-Piperazineethanol, 4-(1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl)-
CID 3065056
Gevotroline Hydrochloride
CID 60546
Carvotroline Hydrochloride
CID 72037
Carvotroline
CID 72038
4-[3,3-Dimethyl-6-(Morpholin-4-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-7-Fluoro-3-Methyl-2-(Pyridin-3-Yl)quinoline
CID 50939209

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol (CID 25233849) is 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol is Cc1ccc2c(c1)c1c(n2CCc2cncc(F)c2)CCN(CCO)C1.
What is the InChIKey of 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol?
The InChIKey is SJZZIJCMLIJBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15-2-3-20-18(10-15)19-14-24(8-9-26)6-5-21(19)25(20)7-4-16-11-17(22)13-23-12-16/h2-3,10-13,26H,4-9,14H2,1H3.
What are the key properties of 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol?
2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol has a molecular weight of 353.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanol is sourced from PubChem (CID 25233849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).