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

C23H16F2N6O — CID 118537123

IUPAC2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccccc4F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H16F2N6O/c1-30-12-17(22(29-30)14-6-8-15(24)9-7-14)19-10-11-21-26-20(13-31(21)28-19)27-23(32)16-4-2-3-5-18(16)25/h2-13H,1H3,(H,27,32)
InChIKeyWNFSWGREHBGGMF-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.33
Rot. Bonds4

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

2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118537123) has the molecular formula C23H16F2N6O and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID118537123
Molecular FormulaC23H16F2N6O
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC Name2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccccc4F)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H16F2N6O/c1-30-12-17(22(29-30)14-6-8-15(24)9-7-14)19-10-11-21-26-20(13-31(21)28-19)27-23(32)16-4-2-3-5-18(16)25/h2-13H,1H3,(H,27,32)
InChIKeyWNFSWGREHBGGMF-UHFFFAOYSA-N
XLogP4.33
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-2-carboxamide
CID 118537094
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
CID 118537135
5-cyano-2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537128
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
CID 90248400
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537121
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 118550842
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
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 118537139
6-(dimethylamino)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
CID 118537184
4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537161
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 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118537123) is 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccccc4F)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is WNFSWGREHBGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O/c1-30-12-17(22(29-30)14-6-8-15(24)9-7-14)19-10-11-21-26-20(13-31(21)28-19)27-23(32)16-4-2-3-5-18(16)25/h2-13H,1H3,(H,27,32).
What are the key properties of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 430.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118537123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).