3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C22H25ClFN5O2 — CID 146185142

IUPAC3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(F)c(Cl)c1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N
InChIInChI=1S/C22H25ClFN5O2/c1-13(20-18(30-2)4-3-17(24)21(20)23)31-19-9-14(10-27-22(19)25)15-11-28-29(12-15)16-5-7-26-8-6-16/h3-4,9-13,16,26H,5-8H2,1-2H3,(H2,25,27)
InChIKeyHRJDJMXORQIFDW-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.39
Rot. Bonds6

About 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 146185142) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID146185142
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(F)c(Cl)c1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N
InChIInChI=1S/C22H25ClFN5O2/c1-13(20-18(30-2)4-3-17(24)21(20)23)31-19-9-14(10-27-22(19)25)15-11-28-29(12-15)16-5-7-26-8-6-16/h3-4,9-13,16,26H,5-8H2,1-2H3,(H2,25,27)
InChIKeyHRJDJMXORQIFDW-UHFFFAOYSA-N
XLogP4.39
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 146185142) is 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is COc1ccc(F)c(Cl)c1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N.
What is the InChIKey of 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is HRJDJMXORQIFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-13(20-18(30-2)4-3-17(24)21(20)23)31-19-9-14(10-27-22(19)25)15-11-28-29(12-15)16-5-7-26-8-6-16/h3-4,9-13,16,26H,5-8H2,1-2H3,(H2,25,27).
What are the key properties of 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 445.93 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 146185142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).