1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine

C20H20N2O — CID 168926151

IUPAC1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine
SMILESc1cc2c(c(-c3cc4cccnc4n3C3CCCC3)c1)CCO2
InChIInChI=1S/C20H20N2O/c1-2-7-15(6-1)22-18(13-14-5-4-11-21-20(14)22)16-8-3-9-19-17(16)10-12-23-19/h3-5,8-9,11,13,15H,1-2,6-7,10,12H2
InChIKeyWQXCUCXINOUECY-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.75
Rot. Bonds2

About 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine

1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 168926151) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID168926151
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine
SMILESc1cc2c(c(-c3cc4cccnc4n3C3CCCC3)c1)CCO2
InChIInChI=1S/C20H20N2O/c1-2-7-15(6-1)22-18(13-14-5-4-11-21-20(14)22)16-8-3-9-19-17(16)10-12-23-19/h3-5,8-9,11,13,15H,1-2,6-7,10,12H2
InChIKeyWQXCUCXINOUECY-UHFFFAOYSA-N
XLogP4.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine (CID 168926151) is 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine is c1cc2c(c(-c3cc4cccnc4n3C3CCCC3)c1)CCO2.
What is the InChIKey of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is WQXCUCXINOUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-7-15(6-1)22-18(13-14-5-4-11-21-20(14)22)16-8-3-9-19-17(16)10-12-23-19/h3-5,8-9,11,13,15H,1-2,6-7,10,12H2.
What are the key properties of 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine?
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 304.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168926151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).