formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol

C25H29F3N6O3 — CID 177153092

About formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol

formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol (PubChem CID 177153092) has the molecular formula C25H29F3N6O3 and a molecular weight of 518.54 g/mol. Its IUPAC name is formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
• PubChem CID: 177153092
• Molecular Formula: C25H29F3N6O3
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.23
• IUPAC Name: formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
• SMILES: Cc1ccc(-c2ccc(C(F)(F)F)nn2)cc1-c1cc(NC(C)CO)nc(N2CCOCC2)c1.NC=O
• InChI: InChI=1S/C24H26F3N5O2.CH3NO/c1-15-3-4-17(20-5-6-21(31-30-20)24(25,26)27)11-19(15)18-12-22(28-16(2)14-33)29-23(13-18)32-7-9-34-10-8-32;2-1-3/h3-6,11-13,16,33H,7-10,14H2,1-2H3,(H,28,29);1H,(H2,2,3)
• InChIKey: BURNQCCSLNQSOU-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 126.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?

The IUPAC name of formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol (CID 177153092) is formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol.

What is the SMILES notation for formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?

The canonical SMILES for formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol is Cc1ccc(-c2ccc(C(F)(F)F)nn2)cc1-c1cc(NC(C)CO)nc(N2CCOCC2)c1.NC=O.

What is the InChIKey of formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?

The InChIKey is BURNQCCSLNQSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2.CH3NO/c1-15-3-4-17(20-5-6-21(31-30-20)24(25,26)27)11-19(15)18-12-22(28-16(2)14-33)29-23(13-18)32-7-9-34-10-8-32;2-1-3/h3-6,11-13,16,33H,7-10,14H2,1-2H3,(H,28,29);1H,(H2,2,3).

What are the key properties of formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?

formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol has a molecular weight of 518.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 177153092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).