1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one

C18H24N6O2 — CID 72928513

IUPAC1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C18H24N6O2/c1-14(25)24-10-3-15-17(20-13-19-15)18(24)5-11-22(12-6-18)16(26)4-9-23-8-2-7-21-23/h2,7-8,13H,3-6,9-12H2,1H3,(H,19,20)
InChIKeyAQRSRRMEYWFELG-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.92
Rot. Bonds3

About 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one

1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 72928513) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID72928513
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C18H24N6O2/c1-14(25)24-10-3-15-17(20-13-19-15)18(24)5-11-22(12-6-18)16(26)4-9-23-8-2-7-21-23/h2,7-8,13H,3-6,9-12H2,1H3,(H,19,20)
InChIKeyAQRSRRMEYWFELG-UHFFFAOYSA-N
XLogP0.92
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one (CID 72928513) is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one is CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cccn1)CC2.
What is the InChIKey of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is AQRSRRMEYWFELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14(25)24-10-3-15-17(20-13-19-15)18(24)5-11-22(12-6-18)16(26)4-9-23-8-2-7-21-23/h2,7-8,13H,3-6,9-12H2,1H3,(H,19,20).
What are the key properties of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 356.43 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 72928513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).