5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole

C18H18FN3O — CID 153405999

IUPAC5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole
SMILESCOc1ccc(N2CC(n3cc(C)c4cc(F)ccc43)C2)cn1
InChIInChI=1S/C18H18FN3O/c1-12-9-22(17-5-3-13(19)7-16(12)17)15-10-21(11-15)14-4-6-18(23-2)20-8-14/h3-9,15H,10-11H2,1-2H3
InChIKeyZGYJNERLMUOFIQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.55
Rot. Bonds3

About 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole

5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole (PubChem CID 153405999) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole.

Molecular Properties

Compound Name5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole
PubChem CID153405999
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole
SMILESCOc1ccc(N2CC(n3cc(C)c4cc(F)ccc43)C2)cn1
InChIInChI=1S/C18H18FN3O/c1-12-9-22(17-5-3-13(19)7-16(12)17)15-10-21(11-15)14-4-6-18(23-2)20-8-14/h3-9,15H,10-11H2,1-2H3
InChIKeyZGYJNERLMUOFIQ-UHFFFAOYSA-N
XLogP3.55
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole?
The IUPAC name of 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole (CID 153405999) is 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole.
What is the SMILES notation for 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole?
The canonical SMILES for 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole is COc1ccc(N2CC(n3cc(C)c4cc(F)ccc43)C2)cn1.
What is the InChIKey of 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole?
The InChIKey is ZGYJNERLMUOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12-9-22(17-5-3-13(19)7-16(12)17)15-10-21(11-15)14-4-6-18(23-2)20-8-14/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole?
5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole has a molecular weight of 311.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole is sourced from PubChem (CID 153405999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).