3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol

C18H19N3O3S — CID 10338394

IUPAC3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol
SMILESO=S(=O)(c1ccccc1)c1cn(CC2CCCN2)c2cc(O)cnc12
InChIInChI=1S/C18H19N3O3S/c22-14-9-16-18(20-10-14)17(12-21(16)11-13-5-4-8-19-13)25(23,24)15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,19,22H,4-5,8,11H2
InChIKeyZWRARNMAAWKGRS-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.33
Rot. Bonds4

About 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol

3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol (PubChem CID 10338394) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol
PubChem CID10338394
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol
SMILESO=S(=O)(c1ccccc1)c1cn(CC2CCCN2)c2cc(O)cnc12
InChIInChI=1S/C18H19N3O3S/c22-14-9-16-18(20-10-14)17(12-21(16)11-13-5-4-8-19-13)25(23,24)15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,19,22H,4-5,8,11H2
InChIKeyZWRARNMAAWKGRS-UHFFFAOYSA-N
XLogP2.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol?
The IUPAC name of 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol (CID 10338394) is 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol?
The canonical SMILES for 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol is O=S(=O)(c1ccccc1)c1cn(CC2CCCN2)c2cc(O)cnc12.
What is the InChIKey of 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol?
The InChIKey is ZWRARNMAAWKGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-14-9-16-18(20-10-14)17(12-21(16)11-13-5-4-8-19-13)25(23,24)15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,19,22H,4-5,8,11H2.
What are the key properties of 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol?
3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol has a molecular weight of 357.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(pyrrolidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-ol is sourced from PubChem (CID 10338394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).