6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine

C25H26N6O2 — CID 170631209

About 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 170631209) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
• PubChem CID: 170631209
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
• SMILES: COc1cc2ncc(-c3cc(Oc4ccccc4)cc(N[C@@H]4CCNC4)n3)n2nc1C1CC1
• InChI: InChI=1S/C25H26N6O2/c1-32-22-13-24-27-15-21(31(24)30-25(22)16-7-8-16)20-11-19(33-18-5-3-2-4-6-18)12-23(29-20)28-17-9-10-26-14-17/h2-6,11-13,15-17,26H,7-10,14H2,1H3,(H,28,29)/t17-/m1/s1
• InChIKey: DSPMOIFIGHJSGW-QGZVFWFLSA-N
• XLogP: 4.24
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?

The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine (CID 170631209) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine.

What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?

The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cc(Oc4ccccc4)cc(N[C@@H]4CCNC4)n3)n2nc1C1CC1.

What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?

The InChIKey is DSPMOIFIGHJSGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-32-22-13-24-27-15-21(31(24)30-25(22)16-7-8-16)20-11-19(33-18-5-3-2-4-6-18)12-23(29-20)28-17-9-10-26-14-17/h2-6,11-13,15-17,26H,7-10,14H2,1H3,(H,28,29)/t17-/m1/s1.

What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 442.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-phenoxy-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 170631209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).