cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

C23H27FN4O — CID 72896534

About cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72896534) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
• PubChem CID: 72896534
• Molecular Formula: C23H27FN4O
• Molecular Weight: 394.49 g/mol
• Exact Mass: 394.22
• IUPAC Name: cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
• SMILES: O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C/C=C/c1ccc(F)cc1)CC2
• InChI: InChI=1S/C23H27FN4O/c24-19-7-3-17(4-8-19)2-1-12-27-14-10-23(11-15-27)21-20(25-16-26-21)9-13-28(23)22(29)18-5-6-18/h1-4,7-8,16,18H,5-6,9-15H2,(H,25,26)/b2-1+
• InChIKey: HDKOXYNYPDIPGR-OWOJBTEDSA-N
• XLogP: 3.35
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.49
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?

The IUPAC name of cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72896534) is cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

What is the SMILES notation for cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?

The canonical SMILES for cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C/C=C/c1ccc(F)cc1)CC2.

What is the InChIKey of cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?

The InChIKey is HDKOXYNYPDIPGR-OWOJBTEDSA-N. The full InChI is InChI=1S/C23H27FN4O/c24-19-7-3-17(4-8-19)2-1-12-27-14-10-23(11-15-27)21-20(25-16-26-21)9-13-28(23)22(29)18-5-6-18/h1-4,7-8,16,18H,5-6,9-15H2,(H,25,26)/b2-1+.

What are the key properties of cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?

cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 394.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).