6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

C26H27FN8O — CID 126607529

IUPAC6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
SMILESCNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(Cc4cocn4)CC3)ccc2n1
InChIInChI=1S/C26H27FN8O/c1-28-22-14-35-23(30-22)8-7-21(31-35)24-25(17-3-5-19(27)6-4-17)32-33(2)26(24)18-9-11-34(12-10-18)13-20-15-36-16-29-20/h3-8,14-16,18,28H,9-13H2,1-2H3
InChIKeyWNKPCRHXIVMXOF-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.35
Rot. Bonds6

About 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine (PubChem CID 126607529) has the molecular formula C26H27FN8O and a molecular weight of 486.56 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
PubChem CID126607529
Molecular FormulaC26H27FN8O
Molecular Weight486.56 g/mol
Exact Mass486.23
IUPAC Name6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
SMILESCNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(Cc4cocn4)CC3)ccc2n1
InChIInChI=1S/C26H27FN8O/c1-28-22-14-35-23(30-22)8-7-21(31-35)24-25(17-3-5-19(27)6-4-17)32-33(2)26(24)18-9-11-34(12-10-18)13-20-15-36-16-29-20/h3-8,14-16,18,28H,9-13H2,1-2H3
InChIKeyWNKPCRHXIVMXOF-UHFFFAOYSA-N
XLogP4.35
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine (CID 126607529) is 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine is CNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(Cc4cocn4)CC3)ccc2n1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?
The InChIKey is WNKPCRHXIVMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O/c1-28-22-14-35-23(30-22)8-7-21(31-35)24-25(17-3-5-19(27)6-4-17)32-33(2)26(24)18-9-11-34(12-10-18)13-20-15-36-16-29-20/h3-8,14-16,18,28H,9-13H2,1-2H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?
6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine has a molecular weight of 486.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 126607529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).