5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine

C27H26F3N3O2S — CID 172812047

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(N1CC=C2C=C(N3CCC[C@@H]3c3cc(F)ccc3F)C=CN21)C1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H26F3N3O2S/c28-20-5-3-19(4-6-20)18-27(11-12-27)36(34,35)33-15-10-23-17-22(9-14-32(23)33)31-13-1-2-26(31)24-16-21(29)7-8-25(24)30/h3-10,14,16-17,26H,1-2,11-13,15,18H2/t26-/m1/s1
InChIKeySHRMEYWTWVCTMD-AREMUKBSSA-N
MW513.59 g/mol
LogP5.17
Rot. Bonds6

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine (PubChem CID 172812047) has the molecular formula C27H26F3N3O2S and a molecular weight of 513.59 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine
PubChem CID172812047
Molecular FormulaC27H26F3N3O2S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(N1CC=C2C=C(N3CCC[C@@H]3c3cc(F)ccc3F)C=CN21)C1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H26F3N3O2S/c28-20-5-3-19(4-6-20)18-27(11-12-27)36(34,35)33-15-10-23-17-22(9-14-32(23)33)31-13-1-2-26(31)24-16-21(29)7-8-25(24)30/h3-10,14,16-17,26H,1-2,11-13,15,18H2/t26-/m1/s1
InChIKeySHRMEYWTWVCTMD-AREMUKBSSA-N
XLogP5.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine 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

4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyridin-1-yl]benzonitrile
CID 154332344
1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
CID 141369872
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
CID 123702425
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-nitro-1H-pyrrole
CID 174941019
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide
CID 175189596
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
CID 141292506
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
CID 122516474

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine (CID 172812047) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine is O=S(=O)(N1CC=C2C=C(N3CCC[C@@H]3c3cc(F)ccc3F)C=CN21)C1(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine?
The InChIKey is SHRMEYWTWVCTMD-AREMUKBSSA-N. The full InChI is InChI=1S/C27H26F3N3O2S/c28-20-5-3-19(4-6-20)18-27(11-12-27)36(34,35)33-15-10-23-17-22(9-14-32(23)33)31-13-1-2-26(31)24-16-21(29)7-8-25(24)30/h3-10,14,16-17,26H,1-2,11-13,15,18H2/t26-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine has a molecular weight of 513.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-[1-[(4-fluorophenyl)methyl]cyclopropyl]sulfonyl-2H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 172812047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).