(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C25H26F7N3O5 — CID 118746631

IUPAC(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24FN3O.2C2HF3O2/c1-2-10-24-11-7-21(8-12-24)15-25(19-6-5-17(22)13-18(19)21)20(26)16-4-3-9-23-14-16;2*3-2(4,5)1(6)7/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3;2*(H,6,7)
InChIKeyGGJSSPRMIZFZBL-UHFFFAOYSA-N
MW581.49 g/mol
LogP4.89
Rot. Bonds3

About (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)

(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746631) has the molecular formula C25H26F7N3O5 and a molecular weight of 581.49 g/mol. Its IUPAC name is (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746631
Molecular FormulaC25H26F7N3O5
Molecular Weight581.49 g/mol
Exact Mass581.18
IUPAC Name(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24FN3O.2C2HF3O2/c1-2-10-24-11-7-21(8-12-24)15-25(19-6-5-17(22)13-18(19)21)20(26)16-4-3-9-23-14-16;2*3-2(4,5)1(6)7/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3;2*(H,6,7)
InChIKeyGGJSSPRMIZFZBL-UHFFFAOYSA-N
XLogP4.89
TPSA111.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 118746631) is (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) is CCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GGJSSPRMIZFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O.2C2HF3O2/c1-2-10-24-11-7-21(8-12-24)15-25(19-6-5-17(22)13-18(19)21)20(26)16-4-3-9-23-14-16;2*3-2(4,5)1(6)7/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3;2*(H,6,7).
What are the key properties of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 581.49 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).