acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine

C89H105BrF4N24O6Si3 — CID 160661071

IUPACacetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine
SMILESCC(=O)Nc1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccc(F)cc3)nn12.CC(=O)Nc1cnc2ccc(-c3cn[nH]c3-c3ccc(F)cc3)nn12.CC(N)=O.CCCCNC.C[Si](C)(C)CCOCn1cc(-c2ccc3ncc(Br)n3n2)c(-c2ccc(F)cc2)n1.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN6O2Si.C21H23BrFN5OSi.C21H24FN5OSi.C17H13FN6O.C5H13N.C2H5NO/c1-16(31)26-22-13-25-21-10-9-20(27-30(21)22)19-14-29(15-32-11-12-33(2,3)4)28-23(19)17-5-7-18(24)8-6-17;1-30(2,3)11-10-29-14-27-13-17(21(26-27)15-4-6-16(23)7-5-15)18-8-9-20-24-12-19(22)28(20)25-18;1-29(2,3)13-12-28-15-26-14-18(19-8-9-20-23-10-11-27(20)24-19)21(25-26)16-4-6-17(22)7-5-16;1-10(25)21-16-9-19-15-7-6-14(23-24(15)16)13-8-20-22-17(13)11-2-4-12(18)5-3-11;1-3-4-5-6-2;1-2(3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31);4-9,12-13H,10-11,14H2,1-3H3;4-11,14H,12-13,15H2,1-3H3;2-9H,1H3,(H,20,22)(H,21,25);6H,3-5H2,1-2H3;1H3,(H2,3,4)
InChIKeyRLRGWJFBGYLSKP-UHFFFAOYSA-N
MW1847.13 g/mol
LogP18.24
Rot. Bonds28

About acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine

acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine (PubChem CID 160661071) has the molecular formula C89H105BrF4N24O6Si3 and a molecular weight of 1847.13 g/mol. Its IUPAC name is acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine.

Molecular Properties

Compound Nameacetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine
PubChem CID160661071
Molecular FormulaC89H105BrF4N24O6Si3
Molecular Weight1847.13 g/mol
Exact Mass1844.71
IUPAC Nameacetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine
SMILESCC(=O)Nc1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccc(F)cc3)nn12.CC(=O)Nc1cnc2ccc(-c3cn[nH]c3-c3ccc(F)cc3)nn12.CC(N)=O.CCCCNC.C[Si](C)(C)CCOCn1cc(-c2ccc3ncc(Br)n3n2)c(-c2ccc(F)cc2)n1.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN6O2Si.C21H23BrFN5OSi.C21H24FN5OSi.C17H13FN6O.C5H13N.C2H5NO/c1-16(31)26-22-13-25-21-10-9-20(27-30(21)22)19-14-29(15-32-11-12-33(2,3)4)28-23(19)17-5-7-18(24)8-6-17;1-30(2,3)11-10-29-14-27-13-17(21(26-27)15-4-6-16(23)7-5-15)18-8-9-20-24-12-19(22)28(20)25-18;1-29(2,3)13-12-28-15-26-14-18(19-8-9-20-23-10-11-27(20)24-19)21(25-26)16-4-6-17(22)7-5-16;1-10(25)21-16-9-19-15-7-6-14(23-24(15)16)13-8-20-22-17(13)11-2-4-12(18)5-3-11;1-3-4-5-6-2;1-2(3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31);4-9,12-13H,10-11,14H2,1-3H3;4-11,14H,12-13,15H2,1-3H3;2-9H,1H3,(H,20,22)(H,21,25);6H,3-5H2,1-2H3;1H3,(H2,3,4)
InChIKeyRLRGWJFBGYLSKP-UHFFFAOYSA-N
XLogP18.24
TPSA343.91 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.13
LogP ≤ 518.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine?
The IUPAC name of acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine (CID 160661071) is acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine.
What is the SMILES notation for acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine?
The canonical SMILES for acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine is CC(=O)Nc1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccc(F)cc3)nn12.CC(=O)Nc1cnc2ccc(-c3cn[nH]c3-c3ccc(F)cc3)nn12.CC(N)=O.CCCCNC.C[Si](C)(C)CCOCn1cc(-c2ccc3ncc(Br)n3n2)c(-c2ccc(F)cc2)n1.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine?
The InChIKey is RLRGWJFBGYLSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2Si.C21H23BrFN5OSi.C21H24FN5OSi.C17H13FN6O.C5H13N.C2H5NO/c1-16(31)26-22-13-25-21-10-9-20(27-30(21)22)19-14-29(15-32-11-12-33(2,3)4)28-23(19)17-5-7-18(24)8-6-17;1-30(2,3)11-10-29-14-27-13-17(21(26-27)15-4-6-16(23)7-5-15)18-8-9-20-24-12-19(22)28(20)25-18;1-29(2,3)13-12-28-15-26-14-18(19-8-9-20-23-10-11-27(20)24-19)21(25-26)16-4-6-17(22)7-5-16;1-10(25)21-16-9-19-15-7-6-14(23-24(15)16)13-8-20-22-17(13)11-2-4-12(18)5-3-11;1-3-4-5-6-2;1-2(3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31);4-9,12-13H,10-11,14H2,1-3H3;4-11,14H,12-13,15H2,1-3H3;2-9H,1H3,(H,20,22)(H,21,25);6H,3-5H2,1-2H3;1H3,(H2,3,4).
What are the key properties of acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine?
acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine has a molecular weight of 1847.13 g/mol, XLogP of 18.24, 28 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-[[4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-[6-[3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide;N-methylbutan-1-amine is sourced from PubChem (CID 160661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).