3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine

C28H25F2N5O3S — CID 167580959

IUPAC3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)Cc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4ncn(C5CCOCC5)n4)ccc23)c1
InChIInChI=1S/C28H25F2N5O3S/c1-39(36,37)16-18-10-20(24-4-3-22(29)13-26(24)30)12-21(11-18)25-14-32-34-15-19(2-5-27(25)34)28-31-17-35(33-28)23-6-8-38-9-7-23/h2-5,10-15,17,23H,6-9,16H2,1H3
InChIKeyPNZNQPADMRZQNV-UHFFFAOYSA-N
MW549.60 g/mol
LogP5.10
Rot. Bonds6

About 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine

3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine (PubChem CID 167580959) has the molecular formula C28H25F2N5O3S and a molecular weight of 549.60 g/mol. Its IUPAC name is 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
PubChem CID167580959
Molecular FormulaC28H25F2N5O3S
Molecular Weight549.60 g/mol
Exact Mass549.16
IUPAC Name3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)Cc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4ncn(C5CCOCC5)n4)ccc23)c1
InChIInChI=1S/C28H25F2N5O3S/c1-39(36,37)16-18-10-20(24-4-3-22(29)13-26(24)30)12-21(11-18)25-14-32-34-15-19(2-5-27(25)34)28-31-17-35(33-28)23-6-8-38-9-7-23/h2-5,10-15,17,23H,6-9,16H2,1H3
InChIKeyPNZNQPADMRZQNV-UHFFFAOYSA-N
XLogP5.10
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine
CID 167707220
3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine
CID 167607492
3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 167605149
4-benzyl-3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine;3-[6-(cyclopropylsulfonylmethyl)-4-(2,4-difluorophenyl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;3-[4-(2,4-difluorophenyl)-6-(ethylsulfonylmethyl)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine;3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(3-methylsulfonylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine;3-[[4-[3-[3-(3,5-difluoro-2-pyridinyl)-5-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]morpholine
CID 167607489
3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline
CID 155403295
3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol
CID 167614558
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
1-[3-(cyclopropylsulfonylmethyl)-5-methylphenyl]-2,4-difluorobenzene
CID 167695787
2-[3-(cyclopropylsulfonylmethyl)-5-(2,4-difluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167590447
N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
CID 176892513
1-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674967
4-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]morpholine
CID 58344182

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine (CID 167580959) is 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine is CS(=O)(=O)Cc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4ncn(C5CCOCC5)n4)ccc23)c1.
What is the InChIKey of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is PNZNQPADMRZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O3S/c1-39(36,37)16-18-10-20(24-4-3-22(29)13-26(24)30)12-21(11-18)25-14-32-34-15-19(2-5-27(25)34)28-31-17-35(33-28)23-6-8-38-9-7-23/h2-5,10-15,17,23H,6-9,16H2,1H3.
What are the key properties of 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 549.60 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).