5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C17H9F3N4 — CID 90095712

IUPAC5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F
InChIInChI=1S/C17H9F3N4/c18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24/h1-9H
InChIKeyCHAKCODPTNIDGA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.88
Rot. Bonds2

About 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 90095712) has the molecular formula C17H9F3N4 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID90095712
Molecular FormulaC17H9F3N4
Molecular Weight326.28 g/mol
Exact Mass326.08
IUPAC Name5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F
InChIInChI=1S/C17H9F3N4/c18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24/h1-9H
InChIKeyCHAKCODPTNIDGA-UHFFFAOYSA-N
XLogP3.88
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 90095712) is 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.
What is the InChIKey of 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CHAKCODPTNIDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4/c18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24/h1-9H.
What are the key properties of 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 326.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90095712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).