3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide

C26H35N7O2 — CID 170598677

About 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide

3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide (PubChem CID 170598677) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide.

Molecular Properties

• Compound Name: 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide
• PubChem CID: 170598677
• Molecular Formula: C26H35N7O2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.29
• IUPAC Name: 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide
• SMILES: CCn1nccc1C(c1cn2nc(CC3CCCNC3=O)ccc2n1)C1CC2(CCC2)C1.NC=O
• InChI: InChI=1S/C25H32N6O.CH3NO/c1-2-30-21(8-12-27-30)23(18-14-25(15-18)9-4-10-25)20-16-31-22(28-20)7-6-19(29-31)13-17-5-3-11-26-24(17)32;2-1-3/h6-8,12,16-18,23H,2-5,9-11,13-15H2,1H3,(H,26,32);1H,(H2,2,3)
• InChIKey: ZRJMLJWDWYVFIT-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 120.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide?

The IUPAC name of 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide (CID 170598677) is 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide.

What is the SMILES notation for 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide?

The canonical SMILES for 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide is CCn1nccc1C(c1cn2nc(CC3CCCNC3=O)ccc2n1)C1CC2(CCC2)C1.NC=O.

What is the InChIKey of 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide?

The InChIKey is ZRJMLJWDWYVFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.CH3NO/c1-2-30-21(8-12-27-30)23(18-14-25(15-18)9-4-10-25)20-16-31-22(28-20)7-6-19(29-31)13-17-5-3-11-26-24(17)32;2-1-3/h6-8,12,16-18,23H,2-5,9-11,13-15H2,1H3,(H,26,32);1H,(H2,2,3).

What are the key properties of 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide?

3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide has a molecular weight of 477.61 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[(2-ethylpyrazol-3-yl)-spiro[3.3]heptan-2-ylmethyl]imidazo[1,2-b]pyridazin-6-yl]methyl]piperidin-2-one;formamide is sourced from PubChem (CID 170598677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).