N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride

C23H32ClF4N5O2 — CID 170318552

About N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride

N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride (PubChem CID 170318552) has the molecular formula C23H32ClF4N5O2 and a molecular weight of 521.99 g/mol. Its IUPAC name is N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride
• PubChem CID: 170318552
• Molecular Formula: C23H32ClF4N5O2
• Molecular Weight: 521.99 g/mol
• Exact Mass: 521.22
• IUPAC Name: N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride
• SMILES: COC(C)C(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(C(N)C3CCC(F)(F)CC3)nc2c1.Cl
• InChI: InChI=1S/C23H31F4N5O2.ClH/c1-13(34-2)21(31-19(33)7-14-9-23(26,27)10-14)16-8-18-30-17(12-32(18)29-11-16)20(28)15-3-5-22(24,25)6-4-15;/h8,11-15,20-21H,3-7,9-10,28H2,1-2H3,(H,31,33);1H
• InChIKey: IVIMYRFDNINNAV-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 94.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.99
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride?

The IUPAC name of N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride (CID 170318552) is N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride.

What is the SMILES notation for N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride?

The canonical SMILES for N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride is COC(C)C(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(C(N)C3CCC(F)(F)CC3)nc2c1.Cl.

What is the InChIKey of N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride?

The InChIKey is IVIMYRFDNINNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F4N5O2.ClH/c1-13(34-2)21(31-19(33)7-14-9-23(26,27)10-14)16-8-18-30-17(12-32(18)29-11-16)20(28)15-3-5-22(24,25)6-4-15;/h8,11-15,20-21H,3-7,9-10,28H2,1-2H3,(H,31,33);1H.

What are the key properties of N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride?

N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride has a molecular weight of 521.99 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxypropyl]-2-(3,3-difluorocyclobutyl)acetamide;hydrochloride is sourced from PubChem (CID 170318552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).