3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

C23H24ClFN4O — CID 146185193

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(N3CCNCC3)cc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C23H24ClFN4O/c1-15(20-13-18(25)4-7-21(20)24)30-22-12-17(14-28-23(22)26)16-2-5-19(6-3-16)29-10-8-27-9-11-29/h2-7,12-15,27H,8-11H2,1H3,(H2,26,28)
InChIKeyYOZSZWKOOHYQJY-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.67
Rot. Bonds5

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 146185193) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID146185193
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(N3CCNCC3)cc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C23H24ClFN4O/c1-15(20-13-18(25)4-7-21(20)24)30-22-12-17(14-28-23(22)26)16-2-5-19(6-3-16)29-10-8-27-9-11-29/h2-7,12-15,27H,8-11H2,1H3,(H2,26,28)
InChIKeyYOZSZWKOOHYQJY-UHFFFAOYSA-N
XLogP4.67
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 146185193) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is CC(Oc1cc(-c2ccc(N3CCNCC3)cc2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is YOZSZWKOOHYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-15(20-13-18(25)4-7-21(20)24)30-22-12-17(14-28-23(22)26)16-2-5-19(6-3-16)29-10-8-27-9-11-29/h2-7,12-15,27H,8-11H2,1H3,(H2,26,28).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 426.92 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 146185193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).