3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine

C19H15ClFN5O — CID 146185133

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine
SMILESCC(Oc1cc(-c2cnn3cccnc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C19H15ClFN5O/c1-11(14-8-13(21)3-4-16(14)20)27-17-7-12(9-24-18(17)22)15-10-25-26-6-2-5-23-19(15)26/h2-11H,1H3,(H2,22,24)
InChIKeyBLFQPIJHWWEMBK-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.31
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine (PubChem CID 146185133) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine
PubChem CID146185133
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine
SMILESCC(Oc1cc(-c2cnn3cccnc23)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C19H15ClFN5O/c1-11(14-8-13(21)3-4-16(14)20)27-17-7-12(9-24-18(17)22)15-10-25-26-6-2-5-23-19(15)26/h2-11H,1H3,(H2,22,24)
InChIKeyBLFQPIJHWWEMBK-UHFFFAOYSA-N
XLogP4.31
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-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-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine (CID 146185133) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine is CC(Oc1cc(-c2cnn3cccnc23)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine?
The InChIKey is BLFQPIJHWWEMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-11(14-8-13(21)3-4-16(14)20)27-17-7-12(9-24-18(17)22)15-10-25-26-6-2-5-23-19(15)26/h2-11H,1H3,(H2,22,24).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine has a molecular weight of 383.81 g/mol, XLogP of 4.31, 4 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-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine is sourced from PubChem (CID 146185133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).