6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one

C₂₅H₂₇F₃N₆O — CID 156527553

About 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one

6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one (PubChem CID 156527553) has the molecular formula C₂₅H₂₇F₃N₆O and a molecular weight of 484.53 g/mol. Its IUPAC name is 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one.

Molecular Properties

• Compound Name: 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one
• PubChem CID: 156527553
• Molecular Formula: C₂₅H₂₇F₃N₆O
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.22
• IUPAC Name: 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one
• SMILES: Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)cccc1C(F)(F)F
• InChI: InChI=1S/C25H27F3N6O/c1-14-17(6-5-7-20(14)25(26,27)28)15(2)30-22-18-10-21(29-11-19(18)16(3)31-32-22)34-12-24(13-34)8-9-33(4)23(24)35/h5-7,10-11,15H,8-9,12-13H2,1-4H3,(H,30,32)/t15-/m1/s1
• InChIKey: ZVFKCOGSYXSXSP-OAHLLOKOSA-N
• XLogP: 4.50
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one?

The IUPAC name of 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one (CID 156527553) is 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one.

What is the SMILES notation for 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one?

The canonical SMILES for 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one is Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)cccc1C(F)(F)F.

What is the InChIKey of 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one?

The InChIKey is ZVFKCOGSYXSXSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-14-17(6-5-7-20(14)25(26,27)28)15(2)30-22-18-10-21(29-11-19(18)16(3)31-32-22)34-12-24(13-34)8-9-33(4)23(24)35/h5-7,10-11,15H,8-9,12-13H2,1-4H3,(H,30,32)/t15-/m1/s1.

What are the key properties of 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one?

6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one has a molecular weight of 484.53 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one is sourced from PubChem (CID 156527553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156527553 — identifiers, structure, computed properties (public domain)

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