(5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone

C20H26FN5O — CID 72936148

About (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone

(5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (PubChem CID 72936148) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
• PubChem CID: 72936148
• Molecular Formula: C20H26FN5O
• Molecular Weight: 371.46 g/mol
• Exact Mass: 371.21
• IUPAC Name: (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
• SMILES: CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cncc(F)c1)CC2
• InChI: InChI=1S/C20H26FN5O/c1-14(2)12-26-6-3-17-18(24-13-23-17)20(26)4-7-25(8-5-20)19(27)15-9-16(21)11-22-10-15/h9-11,13-14H,3-8,12H2,1-2H3,(H,23,24)
• InChIKey: GBKGQEUBHFIJCR-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.46
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?

The IUPAC name of (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (CID 72936148) is (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.

What is the SMILES notation for (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?

The canonical SMILES for (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cncc(F)c1)CC2.

What is the InChIKey of (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?

The InChIKey is GBKGQEUBHFIJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-14(2)12-26-6-3-17-18(24-13-23-17)20(26)4-7-25(8-5-20)19(27)15-9-16(21)11-22-10-15/h9-11,13-14H,3-8,12H2,1-2H3,(H,23,24).

What are the key properties of (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?

(5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 72936148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).