6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine

C16H14ClF2N3O2S — CID 175730688

IUPAC6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESCC[S@@](=O)Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)cc21
InChIInChI=1S/C16H14ClF2N3O2S/c1-2-25(23)9-22-14-5-11(7-20-13(14)8-21-22)10-3-4-12(17)15(6-10)24-16(18)19/h3-8,16H,2,9H2,1H3/t25-/m1/s1
InChIKeyLILHALSNDPSNDY-RUZDIDTESA-N
MW385.82 g/mol
LogP4.08
Rot. Bonds6

About 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine

6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 175730688) has the molecular formula C16H14ClF2N3O2S and a molecular weight of 385.82 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
PubChem CID175730688
Molecular FormulaC16H14ClF2N3O2S
Molecular Weight385.82 g/mol
Exact Mass385.05
IUPAC Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESCC[S@@](=O)Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)cc21
InChIInChI=1S/C16H14ClF2N3O2S/c1-2-25(23)9-22-14-5-11(7-20-13(14)8-21-22)10-3-4-12(17)15(6-10)24-16(18)19/h3-8,16H,2,9H2,1H3/t25-/m1/s1
InChIKeyLILHALSNDPSNDY-RUZDIDTESA-N
XLogP4.08
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
CID 155386056
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine
CID 155386037
1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
CID 155386010
5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155389558
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
CID 155399998
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 155389139
2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 155411007
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
CID 46317964
2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
CID 155385993
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole
CID 118864201
2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700
1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
CID 155386146

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine (CID 175730688) is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine is CC[S@@](=O)Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)cc21.
What is the InChIKey of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is LILHALSNDPSNDY-RUZDIDTESA-N. The full InChI is InChI=1S/C16H14ClF2N3O2S/c1-2-25(23)9-22-14-5-11(7-20-13(14)8-21-22)10-3-4-12(17)15(6-10)24-16(18)19/h3-8,16H,2,9H2,1H3/t25-/m1/s1.
What are the key properties of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine?
6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 385.82 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 175730688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).