N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

C24H25FN6O2 — CID 140855855

IUPACN-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCOCC(Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O2/c1-15-11-20(19-9-10-22(24(28-19)33-4)31-12-16(2)26-14-31)29-30-23(15)27-21(13-32-3)17-5-7-18(25)8-6-17/h5-12,14,21H,13H2,1-4H3,(H,27,30)
InChIKeyBUSONCOZDCPFDL-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.29
Rot. Bonds8

About N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (PubChem CID 140855855) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
PubChem CID140855855
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCOCC(Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O2/c1-15-11-20(19-9-10-22(24(28-19)33-4)31-12-16(2)26-14-31)29-30-23(15)27-21(13-32-3)17-5-7-18(25)8-6-17/h5-12,14,21H,13H2,1-4H3,(H,27,30)
InChIKeyBUSONCOZDCPFDL-UHFFFAOYSA-N
XLogP4.29
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 121305905
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
4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 134391551
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391295
[6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391314
(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol
CID 134391209
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine
CID 158624653
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
3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
CID 162065678

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (CID 140855855) is N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is COCC(Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The InChIKey is BUSONCOZDCPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-15-11-20(19-9-10-22(24(28-19)33-4)31-12-16(2)26-14-31)29-30-23(15)27-21(13-32-3)17-5-7-18(25)8-6-17/h5-12,14,21H,13H2,1-4H3,(H,27,30).
What are the key properties of N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine has a molecular weight of 448.50 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is sourced from PubChem (CID 140855855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).