5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine

C14H12ClFN4 — CID 155282165

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1cnn2ccc(-c3nc(Cl)ncc3F)cc12
InChIInChI=1S/C14H12ClFN4/c1-8(2)10-6-18-20-4-3-9(5-12(10)20)13-11(16)7-17-14(15)19-13/h3-8H,1-2H3
InChIKeyVDMZZMKXWSENRR-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.71
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine

5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine (PubChem CID 155282165) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
PubChem CID155282165
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1cnn2ccc(-c3nc(Cl)ncc3F)cc12
InChIInChI=1S/C14H12ClFN4/c1-8(2)10-6-18-20-4-3-9(5-12(10)20)13-11(16)7-17-14(15)19-13/h3-8H,1-2H3
InChIKeyVDMZZMKXWSENRR-UHFFFAOYSA-N
XLogP3.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine (CID 155282165) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine is CC(C)c1cnn2ccc(-c3nc(Cl)ncc3F)cc12.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine?
The InChIKey is VDMZZMKXWSENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c1-8(2)10-6-18-20-4-3-9(5-12(10)20)13-11(16)7-17-14(15)19-13/h3-8H,1-2H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine?
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine has a molecular weight of 290.73 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 155282165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).