N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C23H21N5O2 — CID 118673634

About N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118673634) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118673634
• Molecular Formula: C23H21N5O2
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.17
• IUPAC Name: N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnc2ccccn12
• InChI: InChI=1S/C23H21N5O2/c29-21-17-6-2-1-5-16(17)20(26-27-21)14-9-23(10-14)11-15(12-23)25-22(30)18-13-24-19-7-3-4-8-28(18)19/h1-8,13-15H,9-12H2,(H,25,30)(H,27,29)
• InChIKey: WAIMIEBQJLIOBB-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118673634) is N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnc2ccccn12.

What is the InChIKey of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WAIMIEBQJLIOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-21-17-6-2-1-5-16(17)20(26-27-21)14-9-23(10-14)11-15(12-23)25-22(30)18-13-24-19-7-3-4-8-28(18)19/h1-8,13-15H,9-12H2,(H,25,30)(H,27,29).

What are the key properties of N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118673634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).