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

IUPAC6-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
SMILESCc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)cccc1C(F)(F)F
InChIInChI=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
InChIKeyZVFKCOGSYXSXSP-OAHLLOKOSA-N
MW484.53 g/mol
LogP4.50
Rot. Bonds4

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 Name6-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 CID156527553
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC Name6-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
SMILESCc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)cccc1C(F)(F)F
InChIInChI=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
InChIKeyZVFKCOGSYXSXSP-OAHLLOKOSA-N
XLogP4.50
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).