5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid

C21H20F3N3O3 — CID 118952370

IUPAC5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCc1nn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc2c1C(=O)O
InChIInChI=1S/C21H20F3N3O3/c1-2-16-19(20(28)29)18-10-12(7-9-27(18)25-16)26-8-3-4-17(26)14-11-13(30-21(23)24)5-6-15(14)22/h5-7,9-11,17,21H,2-4,8H2,1H3,(H,28,29)/t17-/m1/s1
InChIKeyWEZONKWVQBLDSX-QGZVFWFLSA-N
MW419.40 g/mol
LogP4.68
Rot. Bonds6

About 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 118952370) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID118952370
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCc1nn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc2c1C(=O)O
InChIInChI=1S/C21H20F3N3O3/c1-2-16-19(20(28)29)18-10-12(7-9-27(18)25-16)26-8-3-4-17(26)14-11-13(30-21(23)24)5-6-15(14)22/h5-7,9-11,17,21H,2-4,8H2,1H3,(H,28,29)/t17-/m1/s1
InChIKeyWEZONKWVQBLDSX-QGZVFWFLSA-N
XLogP4.68
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 118952370) is 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid is CCc1nn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc2c1C(=O)O.
What is the InChIKey of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is WEZONKWVQBLDSX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-2-16-19(20(28)29)18-10-12(7-9-27(18)25-16)26-8-3-4-17(26)14-11-13(30-21(23)24)5-6-15(14)22/h5-7,9-11,17,21H,2-4,8H2,1H3,(H,28,29)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 419.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118952370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).