N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine

C20H17FN4O2 — CID 134808753

IUPACN-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)cc1OC
InChIInChI=1S/C20H17FN4O2/c1-26-17-9-7-15(11-18(17)27-2)23-20-12-22-19-10-8-16(24-25(19)20)13-3-5-14(21)6-4-13/h3-12,23H,1-2H3
InChIKeyCRIHPTPSPUPLEA-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.30
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine

N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134808753) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134808753
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)cc1OC
InChIInChI=1S/C20H17FN4O2/c1-26-17-9-7-15(11-18(17)27-2)23-20-12-22-19-10-8-16(24-25(19)20)13-3-5-14(21)6-4-13/h3-12,23H,1-2H3
InChIKeyCRIHPTPSPUPLEA-UHFFFAOYSA-N
XLogP4.30
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
CP466722
CID 44551660
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
7-(1H-indol-2-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 135545443
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 91
CID 6539433
Pyrazolo[1,5-b]pyridazine deriv. 101
CID 6539443
3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
5-methyl-7-(3-phenoxyphenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11155941
5-methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11328632

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine (CID 134808753) is N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine is COc1ccc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is CRIHPTPSPUPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-26-17-9-7-15(11-18(17)27-2)23-20-12-22-19-10-8-16(24-25(19)20)13-3-5-14(21)6-4-13/h3-12,23H,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 364.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134808753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).