N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide

C20H14FN7O2 — CID 118537223

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccno4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN7O2/c1-27-10-14(19(26-27)12-2-4-13(21)5-3-12)15-6-7-18-23-17(11-28(18)25-15)24-20(29)16-8-9-22-30-16/h2-11H,1H3,(H,24,29)
InChIKeyHMIWRNHMQJCCRC-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.18
Rot. Bonds4

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 118537223) has the molecular formula C20H14FN7O2 and a molecular weight of 403.38 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID118537223
Molecular FormulaC20H14FN7O2
Molecular Weight403.38 g/mol
Exact Mass403.12
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccno4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN7O2/c1-27-10-14(19(26-27)12-2-4-13(21)5-3-12)15-6-7-18-23-17(11-28(18)25-15)24-20(29)16-8-9-22-30-16/h2-11H,1H3,(H,24,29)
InChIKeyHMIWRNHMQJCCRC-UHFFFAOYSA-N
XLogP3.18
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US11098041, Example 144
CID 121249690
1-methyl-4-N-(1,2-oxazol-5-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469045
1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388111
4-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388758
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-b]pyridazin-2-ylphenyl)urea
CID 122181821
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684453
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684455
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684550
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684551
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684742
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(1-(isoxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 90241166
2-amino-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241323

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]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide (CID 118537223) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccno4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is HMIWRNHMQJCCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7O2/c1-27-10-14(19(26-27)12-2-4-13(21)5-3-12)15-6-7-18-23-17(11-28(18)25-15)24-20(29)16-8-9-22-30-16/h2-11H,1H3,(H,24,29).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 403.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118537223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).