1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C60H56F7N9O6 — CID 158700044

IUPAC1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc12
InChIInChI=1S/C21H20F3N3O3.C20H19F2N3O2.C19H17F2N3O/c1-2-29-20(28)16-12-25-27-9-7-13(10-19(16)27)26-8-3-4-18(26)15-11-14(30-21(23)24)5-6-17(15)22;1-2-27-20(26)16-12-23-25-9-7-14(11-19(16)25)24-8-3-4-18(24)15-10-13(21)5-6-17(15)22;1-12(25)16-11-22-24-8-6-14(10-19(16)24)23-7-2-3-18(23)15-9-13(20)4-5-17(15)21/h5-7,9-12,18,21H,2-4,8H2,1H3;5-7,9-12,18H,2-4,8H2,1H3;4-6,8-11,18H,2-3,7H2,1H3/t2*18-;/m11./s1
InChIKeyIHKUUGQYMJGVRS-ZMFXSWHNSA-N
MW1132.15 g/mol
LogP12.88
Rot. Bonds13

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

1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 158700044) has the molecular formula C60H56F7N9O6 and a molecular weight of 1132.15 g/mol. Its IUPAC name is 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID158700044
Molecular FormulaC60H56F7N9O6
Molecular Weight1132.15 g/mol
Exact Mass1131.42
IUPAC Name1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc12
InChIInChI=1S/C21H20F3N3O3.C20H19F2N3O2.C19H17F2N3O/c1-2-29-20(28)16-12-25-27-9-7-13(10-19(16)27)26-8-3-4-18(26)15-11-14(30-21(23)24)5-6-17(15)22;1-2-27-20(26)16-12-23-25-9-7-14(11-19(16)25)24-8-3-4-18(24)15-10-13(21)5-6-17(15)22;1-12(25)16-11-22-24-8-6-14(10-19(16)24)23-7-2-3-18(23)15-9-13(20)4-5-17(15)21/h5-7,9-12,18,21H,2-4,8H2,1H3;5-7,9-12,18H,2-4,8H2,1H3;4-6,8-11,18H,2-3,7H2,1H3/t2*18-;/m11./s1
InChIKeyIHKUUGQYMJGVRS-ZMFXSWHNSA-N
XLogP12.88
TPSA140.52 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.15
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 71598992
5-[2-[5-(Difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 78127639
ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 89634254
ethyl 5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 89634256
Ethyl 5-[2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 89635785
5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 118952370
Ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123158423
Ethyl 5-[2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123998884
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
ethyl 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440315
ethyl 5-[(2R,4S)-4-fluoro-2-[3-fluoro-5-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440423
ethyl 5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440424

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 158700044) is 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.CCOC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(OC(F)F)ccc3F)cc12.
What is the InChIKey of 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IHKUUGQYMJGVRS-ZMFXSWHNSA-N. The full InChI is InChI=1S/C21H20F3N3O3.C20H19F2N3O2.C19H17F2N3O/c1-2-29-20(28)16-12-25-27-9-7-13(10-19(16)27)26-8-3-4-18(26)15-11-14(30-21(23)24)5-6-17(15)22;1-2-27-20(26)16-12-23-25-9-7-14(11-19(16)25)24-8-3-4-18(24)15-10-13(21)5-6-17(15)22;1-12(25)16-11-22-24-8-6-14(10-19(16)24)23-7-2-3-18(23)15-9-13(20)4-5-17(15)21/h5-7,9-12,18,21H,2-4,8H2,1H3;5-7,9-12,18H,2-4,8H2,1H3;4-6,8-11,18H,2-3,7H2,1H3/t2*18-;/m11./s1.
What are the key properties of 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 1132.15 g/mol, XLogP of 12.88, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone;ethyl 5-[(2R)-2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 158700044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).