6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine

C35H39F2N11 — CID 158008180

IUPAC6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine
SMILESCC(C)(CNc1ccc(-c2cnc(N)[nH]2)nn1)c1ccc(F)cc1.Cc1ncc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)[nH]1
InChIInChI=1S/C18H20FN5.C17H19FN6/c1-12-20-10-16(22-12)15-8-9-17(24-23-15)21-11-18(2,3)13-4-6-14(19)7-5-13;1-17(2,11-3-5-12(18)6-4-11)10-21-15-8-7-13(23-24-15)14-9-20-16(19)22-14/h4-10H,11H2,1-3H3,(H,20,22)(H,21,24);3-9H,10H2,1-2H3,(H,21,24)(H3,19,20,22)
InChIKeyFEOBQZAMMAIHMG-UHFFFAOYSA-N
MW651.77 g/mol
LogP6.68
Rot. Bonds10

About 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine

6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine (PubChem CID 158008180) has the molecular formula C35H39F2N11 and a molecular weight of 651.77 g/mol. Its IUPAC name is 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine
PubChem CID158008180
Molecular FormulaC35H39F2N11
Molecular Weight651.77 g/mol
Exact Mass651.34
IUPAC Name6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine
SMILESCC(C)(CNc1ccc(-c2cnc(N)[nH]2)nn1)c1ccc(F)cc1.Cc1ncc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)[nH]1
InChIInChI=1S/C18H20FN5.C17H19FN6/c1-12-20-10-16(22-12)15-8-9-17(24-23-15)21-11-18(2,3)13-4-6-14(19)7-5-13;1-17(2,11-3-5-12(18)6-4-11)10-21-15-8-7-13(23-24-15)14-9-20-16(19)22-14/h4-10H,11H2,1-3H3,(H,20,22)(H,21,24);3-9H,10H2,1-2H3,(H,21,24)(H3,19,20,22)
InChIKeyFEOBQZAMMAIHMG-UHFFFAOYSA-N
XLogP6.68
TPSA159.00 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 56.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine?
The IUPAC name of 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine (CID 158008180) is 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine?
The canonical SMILES for 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine is CC(C)(CNc1ccc(-c2cnc(N)[nH]2)nn1)c1ccc(F)cc1.Cc1ncc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)[nH]1.
What is the InChIKey of 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine?
The InChIKey is FEOBQZAMMAIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5.C17H19FN6/c1-12-20-10-16(22-12)15-8-9-17(24-23-15)21-11-18(2,3)13-4-6-14(19)7-5-13;1-17(2,11-3-5-12(18)6-4-11)10-21-15-8-7-13(23-24-15)14-9-20-16(19)22-14/h4-10H,11H2,1-3H3,(H,20,22)(H,21,24);3-9H,10H2,1-2H3,(H,21,24)(H3,19,20,22).
What are the key properties of 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine?
6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine has a molecular weight of 651.77 g/mol, XLogP of 6.68, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 158008180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).