1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one

C20H28N6O2 — CID 72891975

About 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one

1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one (PubChem CID 72891975) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

• Compound Name: 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one
• PubChem CID: 72891975
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one
• SMILES: CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(CC)n1cccn1)CC2
• InChI: InChI=1S/C20H28N6O2/c1-3-16(26-10-5-9-23-26)19(28)24-12-7-20(8-13-24)18-15(21-14-22-18)6-11-25(20)17(27)4-2/h5,9-10,14,16H,3-4,6-8,11-13H2,1-2H3,(H,21,22)
• InChIKey: AKSYOBGEFMPLQE-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one?

The IUPAC name of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one (CID 72891975) is 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one.

What is the SMILES notation for 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one?

The canonical SMILES for 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(CC)n1cccn1)CC2.

What is the InChIKey of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one?

The InChIKey is AKSYOBGEFMPLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-16(26-10-5-9-23-26)19(28)24-12-7-20(8-13-24)18-15(21-14-22-18)6-11-25(20)17(27)4-2/h5,9-10,14,16H,3-4,6-8,11-13H2,1-2H3,(H,21,22).

What are the key properties of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one?

1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one has a molecular weight of 384.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 72891975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).