6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine

C26H26F3N5O — CID 159339530

IUPAC6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
SMILESCOc1nc(-c2cc(C)c(C[C@@H](CC(F)(F)F)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H26F3N5O/c1-16-5-7-19(8-6-16)20(13-26(27,28)29)12-22-17(2)11-23(33-32-22)21-9-10-24(25(31-21)35-4)34-14-18(3)30-15-34/h5-11,14-15,20H,12-13H2,1-4H3/t20-/m0/s1
InChIKeyXGPHFTMECUADDD-FQEVSTJZSA-N
MW481.52 g/mol
LogP5.94
Rot. Bonds7

About 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine (PubChem CID 159339530) has the molecular formula C26H26F3N5O and a molecular weight of 481.52 g/mol. Its IUPAC name is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine.

Molecular Properties

Compound Name6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
PubChem CID159339530
Molecular FormulaC26H26F3N5O
Molecular Weight481.52 g/mol
Exact Mass481.21
IUPAC Name6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
SMILESCOc1nc(-c2cc(C)c(C[C@@H](CC(F)(F)F)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H26F3N5O/c1-16-5-7-19(8-6-16)20(13-26(27,28)29)12-22-17(2)11-23(33-32-22)21-9-10-24(25(31-21)35-4)34-14-18(3)30-15-34/h5-11,14-15,20H,12-13H2,1-4H3/t20-/m0/s1
InChIKeyXGPHFTMECUADDD-FQEVSTJZSA-N
XLogP5.94
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine
CID 158624653
3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
CID 162065678
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine
CID 159126137
N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 140855855
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine
CID 162614026
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
CID 175029624
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
4-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 121305905
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 134391551
[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391234

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
The IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine (CID 159339530) is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine.
What is the SMILES notation for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
The canonical SMILES for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine is COc1nc(-c2cc(C)c(C[C@@H](CC(F)(F)F)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
The InChIKey is XGPHFTMECUADDD-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H26F3N5O/c1-16-5-7-19(8-6-16)20(13-26(27,28)29)12-22-17(2)11-23(33-32-22)21-9-10-24(25(31-21)35-4)34-14-18(3)30-15-34/h5-11,14-15,20H,12-13H2,1-4H3/t20-/m0/s1.
What are the key properties of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine?
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine has a molecular weight of 481.52 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine is sourced from PubChem (CID 159339530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).