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

C23H25ClN2 — CID 53316914

IUPAC1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCC(C)N1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1
InChIInChI=1S/C23H25ClN2/c1-17(2)25-13-12-23-22(16-25)21(19-8-10-20(24)11-9-19)15-26(23)14-18-6-4-3-5-7-18/h3-11,15,17H,12-14,16H2,1-2H3
InChIKeyMLWONAXYSDGFLC-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.62
Rot. Bonds4

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

1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 53316914) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID53316914
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCC(C)N1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1
InChIInChI=1S/C23H25ClN2/c1-17(2)25-13-12-23-22(16-25)21(19-8-10-20(24)11-9-19)15-26(23)14-18-6-4-3-5-7-18/h3-11,15,17H,12-14,16H2,1-2H3
InChIKeyMLWONAXYSDGFLC-UHFFFAOYSA-N
XLogP5.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.62
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-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 53316914) is 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is CC(C)N1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is MLWONAXYSDGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c1-17(2)25-13-12-23-22(16-25)21(19-8-10-20(24)11-9-19)15-26(23)14-18-6-4-3-5-7-18/h3-11,15,17H,12-14,16H2,1-2H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
1-benzyl-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 364.92 g/mol, XLogP of 5.62, 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-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53316914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).