1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C18H24N6O2 — CID 72841727

About 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72841727) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
• PubChem CID: 72841727
• Molecular Formula: C18H24N6O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.20
• IUPAC Name: 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C)n1)CC2
• InChI: InChI=1S/C18H24N6O2/c1-3-15(25)24-9-5-13-16(20-12-19-13)18(24)6-10-23(11-7-18)17(26)14-4-8-22(2)21-14/h4,8,12H,3,5-7,9-11H2,1-2H3,(H,19,20)
• InChIKey: LSNSZOIPFGBCEV-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The IUPAC name of 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72841727) is 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

What is the SMILES notation for 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The canonical SMILES for 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccn(C)n1)CC2.

What is the InChIKey of 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The InChIKey is LSNSZOIPFGBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-15(25)24-9-5-13-16(20-12-19-13)18(24)6-10-23(11-7-18)17(26)14-4-8-22(2)21-14/h4,8,12H,3,5-7,9-11H2,1-2H3,(H,19,20).

What are the key properties of 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).