1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one

C24H26F3N5O — CID 156526617

IUPAC1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one
SMILESCc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O/c1-14-18(6-5-7-21(14)24(25,26)27)15(2)28-23-20-12-17(8-9-19(20)16(3)29-30-23)32-11-10-31(4)22(33)13-32/h5-9,12,15H,10-11,13H2,1-4H3,(H,28,30)/t15-/m1/s1
InChIKeyFCHCXFHSLLVRGA-OAHLLOKOSA-N
MW457.50 g/mol
LogP4.72
Rot. Bonds4

About 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one

1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one (PubChem CID 156526617) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one
PubChem CID156526617
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one
SMILESCc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O/c1-14-18(6-5-7-21(14)24(25,26)27)15(2)28-23-20-12-17(8-9-19(20)16(3)29-30-23)32-11-10-31(4)22(33)13-32/h5-9,12,15H,10-11,13H2,1-4H3,(H,28,30)/t15-/m1/s1
InChIKeyFCHCXFHSLLVRGA-OAHLLOKOSA-N
XLogP4.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one with MolForge

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Related Compounds

Sos1-IN-12
CID 156495874
1-N,1-N-dimethyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylphthalazine-1,4-diamine
CID 156495704
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2953198
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
CID 2952514
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
CID 2952822
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 46853927
2-methyl-3-[(1R)-1-[[4-methyl-7-morpholin-4-yl-6-(trifluoromethyl)phthalazin-1-yl]amino]ethyl]benzonitrile
CID 156495627
4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-piperidin-4-ylphthalazin-1-amine
CID 156495651
7-N,7-N,4-trimethyl-1-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazine-1,7-diamine
CID 156527291
3-[(1R)-1-[(6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]-2-methylbenzonitrile
CID 168282327
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]propan-1-one
CID 3155244
US11702418, Example 18-1
CID 156495488

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one (CID 156526617) is 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one is Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCN(C)C(=O)C4)cc23)cccc1C(F)(F)F.
What is the InChIKey of 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one?
The InChIKey is FCHCXFHSLLVRGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-14-18(6-5-7-21(14)24(25,26)27)15(2)28-23-20-12-17(8-9-19(20)16(3)29-30-23)32-11-10-31(4)22(33)13-32/h5-9,12,15H,10-11,13H2,1-4H3,(H,28,30)/t15-/m1/s1.
What are the key properties of 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one?
1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one has a molecular weight of 457.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]phthalazin-6-yl]piperazin-2-one is sourced from PubChem (CID 156526617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).