5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H12FN5O2 — CID 122478578

IUPAC5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc(-c2ncccc2-c2ccn3ncc(C(=O)O)c3n2)ccc1F
InChIInChI=1S/C18H12FN5O2/c1-10-13(19)4-5-15(22-10)16-11(3-2-7-20-16)14-6-8-24-17(23-14)12(9-21-24)18(25)26/h2-9H,1H3,(H,25,26)
InChIKeyPOSVEUQJMIKKGF-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.00
Rot. Bonds3

About 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 122478578) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID122478578
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc(-c2ncccc2-c2ccn3ncc(C(=O)O)c3n2)ccc1F
InChIInChI=1S/C18H12FN5O2/c1-10-13(19)4-5-15(22-10)16-11(3-2-7-20-16)14-6-8-24-17(23-14)12(9-21-24)18(25)26/h2-9H,1H3,(H,25,26)
InChIKeyPOSVEUQJMIKKGF-UHFFFAOYSA-N
XLogP3.00
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 122478578) is 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1nc(-c2ncccc2-c2ccn3ncc(C(=O)O)c3n2)ccc1F.
What is the InChIKey of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is POSVEUQJMIKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c1-10-13(19)4-5-15(22-10)16-11(3-2-7-20-16)14-6-8-24-17(23-14)12(9-21-24)18(25)26/h2-9H,1H3,(H,25,26).
What are the key properties of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 349.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 122478578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).