[1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

C21H24ClFN4O — CID 72917026

About [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

[1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (PubChem CID 72917026) has the molecular formula C21H24ClFN4O and a molecular weight of 402.90 g/mol. Its IUPAC name is [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

Molecular Properties

• Compound Name: [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
• PubChem CID: 72917026
• Molecular Formula: C21H24ClFN4O
• Molecular Weight: 402.90 g/mol
• Exact Mass: 402.16
• IUPAC Name: [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
• SMILES: O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc(F)cc1Cl)CC2
• InChI: InChI=1S/C21H24ClFN4O/c22-17-11-16(23)4-3-15(17)12-26-9-6-21(7-10-26)19-18(24-13-25-19)5-8-27(21)20(28)14-1-2-14/h3-4,11,13-14H,1-2,5-10,12H2,(H,24,25)
• InChIKey: RRDXOVVEXWOUSF-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.90
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

The IUPAC name of [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (CID 72917026) is [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

What is the SMILES notation for [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

The canonical SMILES for [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc(F)cc1Cl)CC2.

What is the InChIKey of [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

The InChIKey is RRDXOVVEXWOUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O/c22-17-11-16(23)4-3-15(17)12-26-9-6-21(7-10-26)19-18(24-13-25-19)5-8-27(21)20(28)14-1-2-14/h3-4,11,13-14H,1-2,5-10,12H2,(H,24,25).

What are the key properties of [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?

[1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone has a molecular weight of 402.90 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 72917026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).