1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C17H17FN4O — CID 118888513

IUPAC1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESNc1ccc(N2CCC3(CC2)C(=O)Nc2ncccc23)cc1F
InChIInChI=1S/C17H17FN4O/c18-13-10-11(3-4-14(13)19)22-8-5-17(6-9-22)12-2-1-7-20-15(12)21-16(17)23/h1-4,7,10H,5-6,8-9,19H2,(H,20,21,23)
InChIKeyUBCRDABHBAQWJN-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.29
Rot. Bonds1

About 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 118888513) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID118888513
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESNc1ccc(N2CCC3(CC2)C(=O)Nc2ncccc23)cc1F
InChIInChI=1S/C17H17FN4O/c18-13-10-11(3-4-14(13)19)22-8-5-17(6-9-22)12-2-1-7-20-15(12)21-16(17)23/h1-4,7,10H,5-6,8-9,19H2,(H,20,21,23)
InChIKeyUBCRDABHBAQWJN-UHFFFAOYSA-N
XLogP2.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 118888513) is 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is Nc1ccc(N2CCC3(CC2)C(=O)Nc2ncccc23)cc1F.
What is the InChIKey of 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is UBCRDABHBAQWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-10-11(3-4-14(13)19)22-8-5-17(6-9-22)12-2-1-7-20-15(12)21-16(17)23/h1-4,7,10H,5-6,8-9,19H2,(H,20,21,23).
What are the key properties of 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 312.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 118888513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).