ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C24H26FN3O4 — CID 130440422

IUPACethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC3CCOC3)cc12
InChIInChI=1S/C24H26FN3O4/c1-2-31-24(29)20-14-26-28-10-7-17(13-22(20)28)27-9-3-4-21(27)19-12-16(25)5-6-23(19)32-18-8-11-30-15-18/h5-7,10,12-14,18,21H,2-4,8-9,11,15H2,1H3/t18?,21-/m1/s1
InChIKeyBLHZFXMELSLTEC-BDPMCISCSA-N
MW439.49 g/mol
LogP4.16
Rot. Bonds6

About ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 130440422) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID130440422
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Nameethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC3CCOC3)cc12
InChIInChI=1S/C24H26FN3O4/c1-2-31-24(29)20-14-26-28-10-7-17(13-22(20)28)27-9-3-4-21(27)19-12-16(25)5-6-23(19)32-18-8-11-30-15-18/h5-7,10,12-14,18,21H,2-4,8-9,11,15H2,1H3/t18?,21-/m1/s1
InChIKeyBLHZFXMELSLTEC-BDPMCISCSA-N
XLogP4.16
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 130440422) is ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC3CCOC3)cc12.
What is the InChIKey of ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is BLHZFXMELSLTEC-BDPMCISCSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-2-31-24(29)20-14-26-28-10-7-17(13-22(20)28)27-9-3-4-21(27)19-12-16(25)5-6-23(19)32-18-8-11-30-15-18/h5-7,10,12-14,18,21H,2-4,8-9,11,15H2,1H3/t18?,21-/m1/s1.
What are the key properties of ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 130440422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).