N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide

C23H19FN8O3 — CID 118537139

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)nc(OC)n1
InChIInChI=1S/C23H19FN8O3/c1-31-11-15(21(30-31)13-4-6-14(24)7-5-13)16-8-9-19-26-18(12-32(19)29-16)27-22(33)17-10-20(34-2)28-23(25-17)35-3/h4-12H,1-3H3,(H,27,33)
InChIKeyDKOOBWVAIQNXPS-UHFFFAOYSA-N
MW474.46 g/mol
LogP3.00
Rot. Bonds6

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 118537139) has the molecular formula C23H19FN8O3 and a molecular weight of 474.46 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID118537139
Molecular FormulaC23H19FN8O3
Molecular Weight474.46 g/mol
Exact Mass474.16
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)nc(OC)n1
InChIInChI=1S/C23H19FN8O3/c1-31-11-15(21(30-31)13-4-6-14(24)7-5-13)16-8-9-19-26-18(12-32(19)29-16)27-22(33)17-10-20(34-2)28-23(25-17)35-3/h4-12H,1-3H3,(H,27,33)
InChIKeyDKOOBWVAIQNXPS-UHFFFAOYSA-N
XLogP3.00
TPSA121.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537121
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
CID 118537135
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-2-carboxamide
CID 118537094
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-4-carboxamide
CID 118537093
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methylpyridine-2-carboxamide
CID 118550846
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537123
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 118550842
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
CID 90248400
5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537128
4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537161
6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
CID 118537184
N-[6-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-propylpentanamide
CID 144654490

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide (CID 118537139) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)nc(OC)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is DKOOBWVAIQNXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O3/c1-31-11-15(21(30-31)13-4-6-14(24)7-5-13)16-8-9-19-26-18(12-32(19)29-16)27-22(33)17-10-20(34-2)28-23(25-17)35-3/h4-12H,1-3H3,(H,27,33).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 118537139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).