7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C26H19ClFN3O3 — CID 91346385

About 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 91346385) has the molecular formula C26H19ClFN3O3 and a molecular weight of 475.91 g/mol. Its IUPAC name is 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
• PubChem CID: 91346385
• Molecular Formula: C26H19ClFN3O3
• Molecular Weight: 475.91 g/mol
• Exact Mass: 475.11
• IUPAC Name: 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
• SMILES: O=C1OC2(CCNCC2)c2ccc(F)c(C(=O)c3cn(-c4ccccn4)c4cc(Cl)ccc34)c21
• InChI: InChI=1S/C26H19ClFN3O3/c27-15-4-5-16-17(14-31(20(16)13-15)21-3-1-2-10-30-21)24(32)23-19(28)7-6-18-22(23)25(33)34-26(18)8-11-29-12-9-26/h1-7,10,13-14,29H,8-9,11-12H2
• InChIKey: DLLDGCXZISAPAP-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.91
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?

The IUPAC name of 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 91346385) is 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

What is the SMILES notation for 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?

The canonical SMILES for 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCNCC2)c2ccc(F)c(C(=O)c3cn(-c4ccccn4)c4cc(Cl)ccc34)c21.

What is the InChIKey of 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?

The InChIKey is DLLDGCXZISAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN3O3/c27-15-4-5-16-17(14-31(20(16)13-15)21-3-1-2-10-30-21)24(32)23-19(28)7-6-18-22(23)25(33)34-26(18)8-11-29-12-9-26/h1-7,10,13-14,29H,8-9,11-12H2.

What are the key properties of 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?

7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 475.91 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 91346385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).