1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol

C19H21N3O3S — CID 24984451

IUPAC1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESCC(O)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1
InChIInChI=1S/C19H21N3O3S/c1-13(23)18-12-17-16(8-9-20-19(17)21-18)14-4-6-15(7-5-14)26(24,25)22-10-2-3-11-22/h4-9,12-13,23H,2-3,10-11H2,1H3,(H,20,21)
InChIKeyAHHLNCFGWRNJBQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol

1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol (PubChem CID 24984451) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol
PubChem CID24984451
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol
SMILESCC(O)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1
InChIInChI=1S/C19H21N3O3S/c1-13(23)18-12-17-16(8-9-20-19(17)21-18)14-4-6-15(7-5-14)26(24,25)22-10-2-3-11-22/h4-9,12-13,23H,2-3,10-11H2,1H3,(H,20,21)
InChIKeyAHHLNCFGWRNJBQ-UHFFFAOYSA-N
XLogP3.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The IUPAC name of 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol (CID 24984451) is 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The canonical SMILES for 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol is CC(O)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.
What is the InChIKey of 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol?
The InChIKey is AHHLNCFGWRNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(23)18-12-17-16(8-9-20-19(17)21-18)14-4-6-15(7-5-14)26(24,25)22-10-2-3-11-22/h4-9,12-13,23H,2-3,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol?
1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol has a molecular weight of 371.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 24984451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).