5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole

C19H21FN2 — CID 71015998

IUPAC5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole
SMILESCCCc1c(C)c2cc(F)ccc2n1CCc1cccnc1
InChIInChI=1S/C19H21FN2/c1-3-5-18-14(2)17-12-16(20)7-8-19(17)22(18)11-9-15-6-4-10-21-13-15/h4,6-8,10,12-13H,3,5,9,11H2,1-2H3
InChIKeyVXLXBTZFDBNOGT-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.68
Rot. Bonds5

About 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole

5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole (PubChem CID 71015998) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole
PubChem CID71015998
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole
SMILESCCCc1c(C)c2cc(F)ccc2n1CCc1cccnc1
InChIInChI=1S/C19H21FN2/c1-3-5-18-14(2)17-12-16(20)7-8-19(17)22(18)11-9-15-6-4-10-21-13-15/h4,6-8,10,12-13H,3,5,9,11H2,1-2H3
InChIKeyVXLXBTZFDBNOGT-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550833
1-benzyl-5-fluoro-3-methyl-2-pyridin-3-ylindole
CID 141375001
6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 135464225
2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 79278369
5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
CID 79542579
2-chloro-1-ethyl-5-fluoro-3-methylindole
CID 117127777
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 86802845
ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate
CID 103106221

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole?
The IUPAC name of 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole (CID 71015998) is 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole.
What is the SMILES notation for 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole?
The canonical SMILES for 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole is CCCc1c(C)c2cc(F)ccc2n1CCc1cccnc1.
What is the InChIKey of 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole?
The InChIKey is VXLXBTZFDBNOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-3-5-18-14(2)17-12-16(20)7-8-19(17)22(18)11-9-15-6-4-10-21-13-15/h4,6-8,10,12-13H,3,5,9,11H2,1-2H3.
What are the key properties of 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole?
5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole has a molecular weight of 296.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole is sourced from PubChem (CID 71015998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).