N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide

C23H22ClN5O — CID 59759708

About N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide

N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 59759708) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide
• PubChem CID: 59759708
• Molecular Formula: C23H22ClN5O
• Molecular Weight: 419.92 g/mol
• Exact Mass: 419.15
• IUPAC Name: N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1cc(-c2c(-c3cccc(Cl)c3)nc3cccnn23)ccn1
• InChI: InChI=1S/C23H22ClN5O/c1-23(2,3)14-20(30)27-18-13-16(9-11-25-18)22-21(15-6-4-7-17(24)12-15)28-19-8-5-10-26-29(19)22/h4-13H,14H2,1-3H3,(H,25,27,30)
• InChIKey: CPMXVFDCVMWASD-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.92
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide (CID 59759708) is N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cc(-c2c(-c3cccc(Cl)c3)nc3cccnn23)ccn1.

What is the InChIKey of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide?

The InChIKey is CPMXVFDCVMWASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-23(2,3)14-20(30)27-18-13-16(9-11-25-18)22-21(15-6-4-7-17(24)12-15)28-19-8-5-10-26-29(19)22/h4-13H,14H2,1-3H3,(H,25,27,30).

What are the key properties of N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide?

N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 419.92 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 59759708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).