4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine

C23H23FN6O — CID 134391551

IUPAC4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
SMILESCCc1cc(-c2ccc(-n3cnc(C)c3)c(OC)n2)nnc1NCc1ccc(F)cc1
InChIInChI=1S/C23H23FN6O/c1-4-17-11-20(28-29-22(17)25-12-16-5-7-18(24)8-6-16)19-9-10-21(23(27-19)31-3)30-13-15(2)26-14-30/h5-11,13-14H,4,12H2,1-3H3,(H,25,29)
InChIKeyNMYKHNSVQPJXCN-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.35
Rot. Bonds7

About 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine

4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine (PubChem CID 134391551) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
PubChem CID134391551
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
SMILESCCc1cc(-c2ccc(-n3cnc(C)c3)c(OC)n2)nnc1NCc1ccc(F)cc1
InChIInChI=1S/C23H23FN6O/c1-4-17-11-20(28-29-22(17)25-12-16-5-7-18(24)8-6-16)19-9-10-21(23(27-19)31-3)30-13-15(2)26-14-30/h5-11,13-14H,4,12H2,1-3H3,(H,25,29)
InChIKeyNMYKHNSVQPJXCN-UHFFFAOYSA-N
XLogP4.35
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine?
The IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine (CID 134391551) is 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine.
What is the SMILES notation for 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine?
The canonical SMILES for 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine is CCc1cc(-c2ccc(-n3cnc(C)c3)c(OC)n2)nnc1NCc1ccc(F)cc1.
What is the InChIKey of 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine?
The InChIKey is NMYKHNSVQPJXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-4-17-11-20(28-29-22(17)25-12-16-5-7-18(24)8-6-16)19-9-10-21(23(27-19)31-3)30-13-15(2)26-14-30/h5-11,13-14H,4,12H2,1-3H3,(H,25,29).
What are the key properties of 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine?
4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine has a molecular weight of 418.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-fluorophenyl)methyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine is sourced from PubChem (CID 134391551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).