5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C23H23F2N3O4 — CID 130440310

IUPAC5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12
InChIInChI=1S/C23H23F2N3O4/c24-15-7-14(8-19(9-15)32-18-2-5-31-6-3-18)21-10-16(25)13-27(21)17-1-4-28-22(11-17)20(12-26-28)23(29)30/h1,4,7-9,11-12,16,18,21H,2-3,5-6,10,13H2,(H,29,30)/t16-,21+/m0/s1
InChIKeySOSJYPIXDAVJAM-HRAATJIYSA-N
MW443.45 g/mol
LogP4.02
Rot. Bonds5

About 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 130440310) has the molecular formula C23H23F2N3O4 and a molecular weight of 443.45 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID130440310
Molecular FormulaC23H23F2N3O4
Molecular Weight443.45 g/mol
Exact Mass443.17
IUPAC Name5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12
InChIInChI=1S/C23H23F2N3O4/c24-15-7-14(8-19(9-15)32-18-2-5-31-6-3-18)21-10-16(25)13-27(21)17-1-4-28-22(11-17)20(12-26-28)23(29)30/h1,4,7-9,11-12,16,18,21H,2-3,5-6,10,13H2,(H,29,30)/t16-,21+/m0/s1
InChIKeySOSJYPIXDAVJAM-HRAATJIYSA-N
XLogP4.02
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 130440310) is 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)cc(OC4CCOCC4)c3)cc12.
What is the InChIKey of 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is SOSJYPIXDAVJAM-HRAATJIYSA-N. The full InChI is InChI=1S/C23H23F2N3O4/c24-15-7-14(8-19(9-15)32-18-2-5-31-6-3-18)21-10-16(25)13-27(21)17-1-4-28-22(11-17)20(12-26-28)23(29)30/h1,4,7-9,11-12,16,18,21H,2-3,5-6,10,13H2,(H,29,30)/t16-,21+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 443.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 130440310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).