3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C17H10ClFN4 — CID 5329464

IUPAC3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1Cl
InChIInChI=1S/C17H10ClFN4/c18-15-7-12(1-2-16(15)19)14-9-22-23-10-13(8-21-17(14)23)11-3-5-20-6-4-11/h1-10H
InChIKeyRPIQNUCZWPLWKI-UHFFFAOYSA-N
MW324.75 g/mol
LogP4.25
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329464) has the molecular formula C17H10ClFN4 and a molecular weight of 324.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329464
Molecular FormulaC17H10ClFN4
Molecular Weight324.75 g/mol
Exact Mass324.06
IUPAC Name3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1Cl
InChIInChI=1S/C17H10ClFN4/c18-15-7-12(1-2-16(15)19)14-9-22-23-10-13(8-21-17(14)23)11-3-5-20-6-4-11/h1-10H
InChIKeyRPIQNUCZWPLWKI-UHFFFAOYSA-N
XLogP4.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329464) is 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Fc1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RPIQNUCZWPLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4/c18-15-7-12(1-2-16(15)19)14-9-22-23-10-13(8-21-17(14)23)11-3-5-20-6-4-11/h1-10H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 324.75 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).