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

C19H16F3N3O3 — CID 71598992

IUPAC5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc12
InChIInChI=1S/C19H16F3N3O3/c20-15-4-3-12(28-19(21)22)9-13(15)16-2-1-6-24(16)11-5-7-25-17(8-11)14(10-23-25)18(26)27/h3-5,7-10,16,19H,1-2,6H2,(H,26,27)/t16-/m1/s1
InChIKeyWJSVQMTUDXUARA-MRXNPFEDSA-N
MW391.35 g/mol
LogP4.11
Rot. Bonds5

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

5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 71598992) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID71598992
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc12
InChIInChI=1S/C19H16F3N3O3/c20-15-4-3-12(28-19(21)22)9-13(15)16-2-1-6-24(16)11-5-7-25-17(8-11)14(10-23-25)18(26)27/h3-5,7-10,16,19H,1-2,6H2,(H,26,27)/t16-/m1/s1
InChIKeyWJSVQMTUDXUARA-MRXNPFEDSA-N
XLogP4.11
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.11
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]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 71598992) is 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is WJSVQMTUDXUARA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-15-4-3-12(28-19(21)22)9-13(15)16-2-1-6-24(16)11-5-7-25-17(8-11)14(10-23-25)18(26)27/h3-5,7-10,16,19H,1-2,6H2,(H,26,27)/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 391.35 g/mol, XLogP of 4.11, 5 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]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 71598992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).