ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C21H20F3N3O3 — CID 123998884

IUPACethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3OC(F)F)cc12
InChIInChI=1S/C21H20F3N3O3/c1-2-29-20(28)16-12-25-27-9-7-14(11-18(16)27)26-8-3-4-17(26)15-10-13(22)5-6-19(15)30-21(23)24/h5-7,9-12,17,21H,2-4,8H2,1H3
InChIKeyBTPHBMDNLJHWNZ-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.59
Rot. Bonds6

About ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 123998884) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID123998884
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Nameethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3OC(F)F)cc12
InChIInChI=1S/C21H20F3N3O3/c1-2-29-20(28)16-12-25-27-9-7-14(11-18(16)27)26-8-3-4-17(26)15-10-13(22)5-6-19(15)30-21(23)24/h5-7,9-12,17,21H,2-4,8H2,1H3
InChIKeyBTPHBMDNLJHWNZ-UHFFFAOYSA-N
XLogP4.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanone
CID 24798271
[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-pyridin-4-ylmethanone
CID 72193177
3,5-Dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 117628356
US11787810, Example 55
CID 162359025
2-(Difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290117
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[7-(4-methoxyphenyl)pyrrolo[1,2-b]pyridazin-6-yl]methanone
CID 71451555
1-[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethane-1,2-dione
CID 72193176
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Methyl 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 13478392
Ethyl 2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 71284143
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
2,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054604

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 123998884) is ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3OC(F)F)cc12.
What is the InChIKey of ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is BTPHBMDNLJHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-2-29-20(28)16-12-25-27-9-7-14(11-18(16)27)26-8-3-4-17(26)15-10-13(22)5-6-19(15)30-21(23)24/h5-7,9-12,17,21H,2-4,8H2,1H3.
What are the key properties of ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 419.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 123998884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).