3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine

C22H19ClFN3O — CID 146185160

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cn(C)c3ccccc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C22H19ClFN3O/c1-13(17-10-15(24)7-8-19(17)23)28-21-9-14(11-26-22(21)25)18-12-27(2)20-6-4-3-5-16(18)20/h3-13H,1-2H3,(H2,25,26)
InChIKeyXPKCGSYCBAXYKW-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.76
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine (PubChem CID 146185160) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine
PubChem CID146185160
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cn(C)c3ccccc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C22H19ClFN3O/c1-13(17-10-15(24)7-8-19(17)23)28-21-9-14(11-26-22(21)25)18-12-27(2)20-6-4-3-5-16(18)20/h3-13H,1-2H3,(H2,25,26)
InChIKeyXPKCGSYCBAXYKW-UHFFFAOYSA-N
XLogP5.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine (CID 146185160) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine is CC(Oc1cc(-c2cn(C)c3ccccc23)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine?
The InChIKey is XPKCGSYCBAXYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c1-13(17-10-15(24)7-8-19(17)23)28-21-9-14(11-26-22(21)25)18-12-27(2)20-6-4-3-5-16(18)20/h3-13H,1-2H3,(H2,25,26).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine has a molecular weight of 395.87 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-methylindol-3-yl)pyridin-2-amine is sourced from PubChem (CID 146185160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).