2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid

C24H26N4O5S — CID 71106371

IUPAC2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(CC(=O)O)c4nc(C#N)ccc34)CC2)cc1
InChIInChI=1S/C24H26N4O5S/c1-16(2)33-19-4-6-20(7-5-19)34(31,32)28-11-9-17(10-12-28)22-14-27(15-23(29)30)24-21(22)8-3-18(13-25)26-24/h3-8,14,16-17H,9-12,15H2,1-2H3,(H,29,30)
InChIKeyALONUABCURNNJP-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.35
Rot. Bonds7

About 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid

2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid (PubChem CID 71106371) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
PubChem CID71106371
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(CC(=O)O)c4nc(C#N)ccc34)CC2)cc1
InChIInChI=1S/C24H26N4O5S/c1-16(2)33-19-4-6-20(7-5-19)34(31,32)28-11-9-17(10-12-28)22-14-27(15-23(29)30)24-21(22)8-3-18(13-25)26-24/h3-8,14,16-17H,9-12,15H2,1-2H3,(H,29,30)
InChIKeyALONUABCURNNJP-UHFFFAOYSA-N
XLogP3.35
TPSA125.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid 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

2-[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-6-prop-2-ynoxypyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 59559456
[6-bromo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methanesulfonic acid
CID 58130160
2-[6-bromo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 59559513
2-[6-bromo-3-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 59559554
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-[6-ethoxycarbonyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid
CID 70640245
2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride
CID 157185929
2-[6-cyclopentyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]-4,5-dihydroindol-1-yl]acetic acid
CID 163893926
2-[3-[1-(2-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]acetic acid
CID 59559330
2-[6-methoxy-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]pyrrolo[2,3-b]pyridin-1-yl]acetaldehyde
CID 88975297
2-[6-methyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrol-3-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 58130146
2-[5-phenyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933278

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid (CID 71106371) is 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid is CC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(CC(=O)O)c4nc(C#N)ccc34)CC2)cc1.
What is the InChIKey of 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
The InChIKey is ALONUABCURNNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-16(2)33-19-4-6-20(7-5-19)34(31,32)28-11-9-17(10-12-28)22-14-27(15-23(29)30)24-21(22)8-3-18(13-25)26-24/h3-8,14,16-17H,9-12,15H2,1-2H3,(H,29,30).
What are the key properties of 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid?
2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid has a molecular weight of 482.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 71106371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).