1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C22H23ClN2 — CID 53318219

IUPAC1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1
InChIInChI=1S/C22H23ClN2/c1-2-24-13-12-22-21(15-24)20(18-8-10-19(23)11-9-18)16-25(22)14-17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3
InChIKeyHSUSOKSRYOCAIB-UHFFFAOYSA-N
MW350.89 g/mol
LogP5.23
Rot. Bonds4

About 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 53318219) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID53318219
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1
InChIInChI=1S/C22H23ClN2/c1-2-24-13-12-22-21(15-24)20(18-8-10-19(23)11-9-18)16-25(22)14-17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3
InChIKeyHSUSOKSRYOCAIB-UHFFFAOYSA-N
XLogP5.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 53318219) is 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is CCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is HSUSOKSRYOCAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2/c1-2-24-13-12-22-21(15-24)20(18-8-10-19(23)11-9-18)16-25(22)14-17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 350.89 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-5-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53318219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).