N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide

C25H21F2N5O2S — CID 155403526

IUPACN-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C)c4)ccc23)c1
InChIInChI=1S/C25H21F2N5O2S/c1-3-35(33,34)30-21-9-17(22-6-5-20(26)11-24(22)27)8-18(10-21)23-13-29-32-15-16(4-7-25(23)32)19-12-28-31(2)14-19/h4-15,30H,3H2,1-2H3
InChIKeyDQNWDOXLRDZLAO-UHFFFAOYSA-N
MW493.54 g/mol
LogP5.11
Rot. Bonds6

About N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide

N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide (PubChem CID 155403526) has the molecular formula C25H21F2N5O2S and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide
PubChem CID155403526
Molecular FormulaC25H21F2N5O2S
Molecular Weight493.54 g/mol
Exact Mass493.14
IUPAC NameN-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C)c4)ccc23)c1
InChIInChI=1S/C25H21F2N5O2S/c1-3-35(33,34)30-21-9-17(22-6-5-20(26)11-24(22)27)8-18(10-21)23-13-29-32-15-16(4-7-25(23)32)19-12-28-31(2)14-19/h4-15,30H,3H2,1-2H3
InChIKeyDQNWDOXLRDZLAO-UHFFFAOYSA-N
XLogP5.11
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(4-Fluorophenyl)-1H-indazol-5-yl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24882669
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73349253
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
2-[4-[4-(1-Methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,2-thiazolidine 1,1-dioxide
CID 118660623
2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-(3-fluorophenyl)ethanethioamide
CID 155544549
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 46831700
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 46831701
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 46831957
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 46832237
N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide
CID 122181355

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide (CID 155403526) is N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C)c4)ccc23)c1.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide?
The InChIKey is DQNWDOXLRDZLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2S/c1-3-35(33,34)30-21-9-17(22-6-5-20(26)11-24(22)27)8-18(10-21)23-13-29-32-15-16(4-7-25(23)32)19-12-28-31(2)14-19/h4-15,30H,3H2,1-2H3.
What are the key properties of N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide?
N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide has a molecular weight of 493.54 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 155403526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).