1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine

C19H19N3O3S — CID 44624928

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)n1cc(C2CCNC2)c2ncccc21
InChIInChI=1S/C19H19N3O3S/c23-26(24,15-3-4-18-13(10-15)6-9-25-18)22-12-16(14-5-8-20-11-14)19-17(22)2-1-7-21-19/h1-4,7,10,12,14,20H,5-6,8-9,11H2
InChIKeyZYOHSEIRPKVQSP-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine (PubChem CID 44624928) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine
PubChem CID44624928
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)n1cc(C2CCNC2)c2ncccc21
InChIInChI=1S/C19H19N3O3S/c23-26(24,15-3-4-18-13(10-15)6-9-25-18)22-12-16(14-5-8-20-11-14)19-17(22)2-1-7-21-19/h1-4,7,10,12,14,20H,5-6,8-9,11H2
InChIKeyZYOHSEIRPKVQSP-UHFFFAOYSA-N
XLogP2.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
CID 44624098
4-methyl-7-[3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 25191874
(2R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpiperazine
CID 82756085
7-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-3-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
CID 68613605
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 120765181
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
3-(3-cyclopentylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile;formic acid
CID 91304164
4-methyl-7-(3-piperidin-4-ylpyrazolo[4,3-b]pyridin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 59259416
6-fluoro-1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylpyrrolo[3,2-b]pyridine
CID 170426402
2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
CID 126775746
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine (CID 44624928) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine is O=S(=O)(c1ccc2c(c1)CCO2)n1cc(C2CCNC2)c2ncccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine?
The InChIKey is ZYOHSEIRPKVQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,15-3-4-18-13(10-15)6-9-25-18)22-12-16(14-5-8-20-11-14)19-17(22)2-1-7-21-19/h1-4,7,10,12,14,20H,5-6,8-9,11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine has a molecular weight of 369.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-pyrrolidin-3-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 44624928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).