3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine

C27H42FN7O2Si — CID 140828967

About 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine

3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine (PubChem CID 140828967) has the molecular formula C27H42FN7O2Si and a molecular weight of 543.76 g/mol. Its IUPAC name is 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine.

Molecular Properties

• Compound Name: 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
• PubChem CID: 140828967
• Molecular Formula: C27H42FN7O2Si
• Molecular Weight: 543.76 g/mol
• Exact Mass: 543.32
• IUPAC Name: 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
• SMILES: Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(F)c1CNC(C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H42FN7O2Si/c1-18(17-37-38(6,7)27(3,4)5)30-16-20-21(28)9-8-10-23(20)32-25-19(2)31-26-22(29)15-24(33-35(25)26)34-11-13-36-14-12-34/h8-10,15,18,30,32H,11-14,16-17,29H2,1-7H3
• InChIKey: NAQRRQKPGOGWCO-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 101.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.76
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?

The IUPAC name of 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine (CID 140828967) is 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine.

What is the SMILES notation for 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?

The canonical SMILES for 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(F)c1CNC(C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?

The InChIKey is NAQRRQKPGOGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42FN7O2Si/c1-18(17-37-38(6,7)27(3,4)5)30-16-20-21(28)9-8-10-23(20)32-25-19(2)31-26-22(29)15-24(33-35(25)26)34-11-13-36-14-12-34/h8-10,15,18,30,32H,11-14,16-17,29H2,1-7H3.

What are the key properties of 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?

3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine has a molecular weight of 543.76 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[2-[[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]methyl]-3-fluorophenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine is sourced from PubChem (CID 140828967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).