7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine

C19H19N3O3S — CID 68613605

IUPAC7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCC2)c1ccnc2c(C3CCNC3)c[nH]c12
InChIInChI=1S/C19H19N3O3S/c23-26(24,14-2-1-12-5-8-25-16(12)9-14)17-4-7-21-18-15(11-22-19(17)18)13-3-6-20-10-13/h1-2,4,7,9,11,13,20,22H,3,5-6,8,10H2
InChIKeyLSAGCTDLDWKLOO-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.41
Rot. Bonds3

About 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine

7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 68613605) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID68613605
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCC2)c1ccnc2c(C3CCNC3)c[nH]c12
InChIInChI=1S/C19H19N3O3S/c23-26(24,14-2-1-12-5-8-25-16(12)9-14)17-4-7-21-18-15(11-22-19(17)18)13-3-6-20-10-13/h1-2,4,7,9,11,13,20,22H,3,5-6,8,10H2
InChIKeyLSAGCTDLDWKLOO-UHFFFAOYSA-N
XLogP2.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine (CID 68613605) is 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine is O=S(=O)(c1ccc2c(c1)OCC2)c1ccnc2c(C3CCNC3)c[nH]c12.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is LSAGCTDLDWKLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,14-2-1-12-5-8-25-16(12)9-14)17-4-7-21-18-15(11-22-19(17)18)13-3-6-20-10-13/h1-2,4,7,9,11,13,20,22H,3,5-6,8,10H2.
What are the key properties of 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine?
7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 369.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 68613605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).