1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

C20H19FN2 — CID 53323115

IUPAC1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESFc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C20H19FN2/c21-17-8-6-16(7-9-17)19-14-23(13-15-4-2-1-3-5-15)20-10-11-22-12-18(19)20/h1-9,14,22H,10-13H2
InChIKeyCIWSCWZVBRNILW-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.99
Rot. Bonds3

About 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 53323115) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID53323115
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESFc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C20H19FN2/c21-17-8-6-16(7-9-17)19-14-23(13-15-4-2-1-3-5-15)20-10-11-22-12-18(19)20/h1-9,14,22H,10-13H2
InChIKeyCIWSCWZVBRNILW-UHFFFAOYSA-N
XLogP3.99
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 53323115) is 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is Fc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is CIWSCWZVBRNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c21-17-8-6-16(7-9-17)19-14-23(13-15-4-2-1-3-5-15)20-10-11-22-12-18(19)20/h1-9,14,22H,10-13H2.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 306.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53323115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).