6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine

C22H26F2N6O2 — CID 177159307

About 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine

6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine (PubChem CID 177159307) has the molecular formula C22H26F2N6O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine
• PubChem CID: 177159307
• Molecular Formula: C22H26F2N6O2
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.21
• IUPAC Name: 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine
• SMILES: COCCOc1cc2ncc(-c3nc(N[C@@H]4CCCNC4)c(F)cc3F)n2nc1C1CC1
• InChI: InChI=1S/C22H26F2N6O2/c1-31-7-8-32-18-10-19-26-12-17(30(19)29-20(18)13-4-5-13)21-15(23)9-16(24)22(28-21)27-14-3-2-6-25-11-14/h9-10,12-14,25H,2-8,11H2,1H3,(H,27,28)/t14-/m1/s1
• InChIKey: SAECQYKUMQRMOY-CQSZACIVSA-N
• XLogP: 3.14
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

The IUPAC name of 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine (CID 177159307) is 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine.

What is the SMILES notation for 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

The canonical SMILES for 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine is COCCOc1cc2ncc(-c3nc(N[C@@H]4CCCNC4)c(F)cc3F)n2nc1C1CC1.

What is the InChIKey of 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

The InChIKey is SAECQYKUMQRMOY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26F2N6O2/c1-31-7-8-32-18-10-19-26-12-17(30(19)29-20(18)13-4-5-13)21-15(23)9-16(24)22(28-21)27-14-3-2-6-25-11-14/h9-10,12-14,25H,2-8,11H2,1H3,(H,27,28)/t14-/m1/s1.

What are the key properties of 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine?

6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine has a molecular weight of 444.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 177159307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).