2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine

C24H21FN6O — CID 67414837

IUPAC2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1cc(Nc2ccnn3cc(-c4cc(F)ccc4C)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21FN6O/c1-15-4-5-17(25)10-19(15)21-13-31-24(29-21)20(8-9-27-31)28-18-6-7-22(23(11-18)32-3)30-12-16(2)26-14-30/h4-14,28H,1-3H3
InChIKeyUCCHCYGNRNQPOY-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.09
Rot. Bonds5

About 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine

2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 67414837) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID67414837
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1cc(Nc2ccnn3cc(-c4cc(F)ccc4C)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21FN6O/c1-15-4-5-17(25)10-19(15)21-13-31-24(29-21)20(8-9-27-31)28-18-6-7-22(23(11-18)32-3)30-12-16(2)26-14-30/h4-14,28H,1-3H3
InChIKeyUCCHCYGNRNQPOY-UHFFFAOYSA-N
XLogP5.09
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 67414569
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339454
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339677
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70271003
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273910
4-bromo-2-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70269858
6-(difluoromethyl)-2-[1-(5-fluoro-2-methylphenyl)butyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70268868
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67414536
N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 67416898
methyl 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carboxylate
CID 70271568

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 67414837) is 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine is COc1cc(Nc2ccnn3cc(-c4cc(F)ccc4C)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is UCCHCYGNRNQPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-15-4-5-17(25)10-19(15)21-13-31-24(29-21)20(8-9-27-31)28-18-6-7-22(23(11-18)32-3)30-12-16(2)26-14-30/h4-14,28H,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 428.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 67414837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).