tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

C24H27FIN5O2 — CID 155184934

About tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (PubChem CID 155184934) has the molecular formula C24H27FIN5O2 and a molecular weight of 563.42 g/mol. Its IUPAC name is tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• PubChem CID: 155184934
• Molecular Formula: C24H27FIN5O2
• Molecular Weight: 563.42 g/mol
• Exact Mass: 563.12
• IUPAC Name: tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(c1ncc(I)c3nccn13)CC2
• InChI: InChI=1S/C24H27FIN5O2/c1-23(2,3)33-22(32)29-19-17-12-16(25)5-4-15(17)13-24(19)6-9-30(10-7-24)21-28-14-18(26)20-27-8-11-31(20)21/h4-5,8,11-12,14,19H,6-7,9-10,13H2,1-3H3,(H,29,32)/t19-/m1/s1
• InChIKey: FBTXPHPOISWROO-LJQANCHMSA-N
• XLogP: 4.88
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.42
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The IUPAC name of tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (CID 155184934) is tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(c1ncc(I)c3nccn13)CC2.

What is the InChIKey of tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The InChIKey is FBTXPHPOISWROO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27FIN5O2/c1-23(2,3)33-22(32)29-19-17-12-16(25)5-4-15(17)13-24(19)6-9-30(10-7-24)21-28-14-18(26)20-27-8-11-31(20)21/h4-5,8,11-12,14,19H,6-7,9-10,13H2,1-3H3,(H,29,32)/t19-/m1/s1.

What are the key properties of tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate has a molecular weight of 563.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-6-fluoro-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 155184934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).