N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine

C22H20FN5O — CID 42632772

IUPACN-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NCc3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20FN5O/c1-15-13-28(14-25-15)20-9-5-17(11-21(20)29-2)19-8-10-22(27-26-19)24-12-16-3-6-18(23)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,24,27)
InChIKeyIYBVVYDSPJBLTM-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.40
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine

N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine (PubChem CID 42632772) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
PubChem CID42632772
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NCc3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20FN5O/c1-15-13-28(14-25-15)20-9-5-17(11-21(20)29-2)19-8-10-22(27-26-19)24-12-16-3-6-18(23)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,24,27)
InChIKeyIYBVVYDSPJBLTM-UHFFFAOYSA-N
XLogP4.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine (CID 42632772) is N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine is COc1cc(-c2ccc(NCc3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
The InChIKey is IYBVVYDSPJBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-15-13-28(14-25-15)20-9-5-17(11-21(20)29-2)19-8-10-22(27-26-19)24-12-16-3-6-18(23)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine has a molecular weight of 389.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 42632772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).