7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine

C19H19N3O2S — CID 68714794

IUPAC7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC1CC(c2c[nH]c3c(S(=O)(=O)c4ccccc4)ccnc23)=CCN1
InChIInChI=1S/C19H19N3O2S/c1-13-11-14(7-9-20-13)16-12-22-19-17(8-10-21-18(16)19)25(23,24)15-5-3-2-4-6-15/h2-8,10,12-13,20,22H,9,11H2,1H3
InChIKeyBMEBABCMOMSXIV-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.16
Rot. Bonds3

About 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine

7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 68714794) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID68714794
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC1CC(c2c[nH]c3c(S(=O)(=O)c4ccccc4)ccnc23)=CCN1
InChIInChI=1S/C19H19N3O2S/c1-13-11-14(7-9-20-13)16-12-22-19-17(8-10-21-18(16)19)25(23,24)15-5-3-2-4-6-15/h2-8,10,12-13,20,22H,9,11H2,1H3
InChIKeyBMEBABCMOMSXIV-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine (CID 68714794) is 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine is CC1CC(c2c[nH]c3c(S(=O)(=O)c4ccccc4)ccnc23)=CCN1.
What is the InChIKey of 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is BMEBABCMOMSXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-11-14(7-9-20-13)16-12-22-19-17(8-10-21-18(16)19)25(23,24)15-5-3-2-4-6-15/h2-8,10,12-13,20,22H,9,11H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 353.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 68714794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).