7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine

C20H16ClFN4 — CID 10109504

IUPAC7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1nccc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)n1
InChIInChI=1S/C20H16ClFN4/c1-12(2)20-23-11-10-15(24-20)18-16-4-3-5-17(21)26(16)25-19(18)13-6-8-14(22)9-7-13/h3-12H,1-2H3
InChIKeyNUWOQZYQRBYBRO-UHFFFAOYSA-N
MW366.83 g/mol
LogP5.37
Rot. Bonds3

About 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine

7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 10109504) has the molecular formula C20H16ClFN4 and a molecular weight of 366.83 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID10109504
Molecular FormulaC20H16ClFN4
Molecular Weight366.83 g/mol
Exact Mass366.10
IUPAC Name7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1nccc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)n1
InChIInChI=1S/C20H16ClFN4/c1-12(2)20-23-11-10-15(24-20)18-16-4-3-5-17(21)26(16)25-19(18)13-6-8-14(22)9-7-13/h3-12H,1-2H3
InChIKeyNUWOQZYQRBYBRO-UHFFFAOYSA-N
XLogP5.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.83
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (CID 10109504) is 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is CC(C)c1nccc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)n1.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is NUWOQZYQRBYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4/c1-12(2)20-23-11-10-15(24-20)18-16-4-3-5-17(21)26(16)25-19(18)13-6-8-14(22)9-7-13/h3-12H,1-2H3.
What are the key properties of 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 366.83 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 10109504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).