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

C24H25FN6O — CID 121305893

IUPAC5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine
SMILESCCc1cnnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O/c1-5-17-12-27-30-23(22(17)28-16(3)18-6-8-19(25)9-7-18)20-10-11-21(24(29-20)32-4)31-13-15(2)26-14-31/h6-14,16H,5H2,1-4H3,(H,27,28)
InChIKeyNWVVZZCNGXQWSZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.92
Rot. Bonds7

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

5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine (PubChem CID 121305893) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine
PubChem CID121305893
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine
SMILESCCc1cnnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C24H25FN6O/c1-5-17-12-27-30-23(22(17)28-16(3)18-6-8-19(25)9-7-18)20-10-11-21(24(29-20)32-4)31-13-15(2)26-14-31/h6-14,16H,5H2,1-4H3,(H,27,28)
InChIKeyNWVVZZCNGXQWSZ-UHFFFAOYSA-N
XLogP4.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine?
The IUPAC name of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine (CID 121305893) is 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine.
What is the SMILES notation for 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine?
The canonical SMILES for 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine is CCc1cnnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)c1NC(C)c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine?
The InChIKey is NWVVZZCNGXQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-5-17-12-27-30-23(22(17)28-16(3)18-6-8-19(25)9-7-18)20-10-11-21(24(29-20)32-4)31-13-15(2)26-14-31/h6-14,16H,5H2,1-4H3,(H,27,28).
What are the key properties of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine?
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine has a molecular weight of 432.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-4-amine is sourced from PubChem (CID 121305893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).