2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid

C22H25FN4O6S — CID 58380675

IUPAC2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(n3c(=O)n(CC(=O)O)c4cc(F)cnc43)CC2)cc1
InChIInChI=1S/C22H25FN4O6S/c1-14(2)33-17-3-5-18(6-4-17)34(31,32)25-9-7-16(8-10-25)27-21-19(11-15(23)12-24-21)26(22(27)30)13-20(28)29/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,28,29)
InChIKeyFFDHGYHEXSWIQT-UHFFFAOYSA-N
MW492.53 g/mol
LogP2.23
Rot. Bonds7

About 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid

2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid (PubChem CID 58380675) has the molecular formula C22H25FN4O6S and a molecular weight of 492.53 g/mol. Its IUPAC name is 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
PubChem CID58380675
Molecular FormulaC22H25FN4O6S
Molecular Weight492.53 g/mol
Exact Mass492.15
IUPAC Name2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(n3c(=O)n(CC(=O)O)c4cc(F)cnc43)CC2)cc1
InChIInChI=1S/C22H25FN4O6S/c1-14(2)33-17-3-5-18(6-4-17)34(31,32)25-9-7-16(8-10-25)27-21-19(11-15(23)12-24-21)26(22(27)30)13-20(28)29/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,28,29)
InChIKeyFFDHGYHEXSWIQT-UHFFFAOYSA-N
XLogP2.23
TPSA123.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-oxo-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
CID 45376776
2-[2-oxo-3-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
CID 45376643
2-[3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 58380668
3-[5-fluoro-2-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]propanoic acid
CID 134135732
2-[6-fluoro-1-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indol-3-yl]acetaldehyde
CID 88578513
2-[3-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 67334638
2-[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-6-prop-2-ynoxypyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 59559456
2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 71106371
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110659331
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844
2-[5-chloro-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethane-1,1-diol
CID 71106472
2-[3-[1-(2-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]acetic acid
CID 59559330

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid (CID 58380675) is 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid is CC(C)Oc1ccc(S(=O)(=O)N2CCC(n3c(=O)n(CC(=O)O)c4cc(F)cnc43)CC2)cc1.
What is the InChIKey of 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid?
The InChIKey is FFDHGYHEXSWIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O6S/c1-14(2)33-17-3-5-18(6-4-17)34(31,32)25-9-7-16(8-10-25)27-21-19(11-15(23)12-24-21)26(22(27)30)13-20(28)29/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,28,29).
What are the key properties of 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid?
2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid has a molecular weight of 492.53 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-oxo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 58380675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).