3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine

C19H20ClFN4O2 — CID 146185130

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine
SMILESCOCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1
InChIInChI=1S/C19H20ClFN4O2/c1-12(16-8-15(21)3-4-17(16)20)27-18-7-13(9-23-19(18)22)14-10-24-25(11-14)5-6-26-2/h3-4,7-12H,5-6H2,1-2H3,(H2,22,23)
InChIKeyALFAMSOWGZNZJZ-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.11
Rot. Bonds7

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 146185130) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine
PubChem CID146185130
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine
SMILESCOCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1
InChIInChI=1S/C19H20ClFN4O2/c1-12(16-8-15(21)3-4-17(16)20)27-18-7-13(9-23-19(18)22)14-10-24-25(11-14)5-6-26-2/h3-4,7-12H,5-6H2,1-2H3,(H2,22,23)
InChIKeyALFAMSOWGZNZJZ-UHFFFAOYSA-N
XLogP4.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine (CID 146185130) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine is COCCn1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is ALFAMSOWGZNZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c1-12(16-8-15(21)3-4-17(16)20)27-18-7-13(9-23-19(18)22)14-10-24-25(11-14)5-6-26-2/h3-4,7-12H,5-6H2,1-2H3,(H2,22,23).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 390.85 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 146185130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).