1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol

C26H28FN5O — CID 44580409

IUPAC1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol
SMILESCN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CN4CCC(O)CC4)cc3)n2n1
InChIInChI=1S/C26H28FN5O/c1-30(17-19-4-8-22(27)9-5-19)26-11-10-25-28-16-24(32(25)29-26)21-6-2-20(3-7-21)18-31-14-12-23(33)13-15-31/h2-11,16,23,33H,12-15,17-18H2,1H3
InChIKeyFEOIHIRAFQRGFU-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.13
Rot. Bonds6

About 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol

1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol (PubChem CID 44580409) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol
PubChem CID44580409
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol
SMILESCN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CN4CCC(O)CC4)cc3)n2n1
InChIInChI=1S/C26H28FN5O/c1-30(17-19-4-8-22(27)9-5-19)26-11-10-25-28-16-24(32(25)29-26)21-6-2-20(3-7-21)18-31-14-12-23(33)13-15-31/h2-11,16,23,33H,12-15,17-18H2,1H3
InChIKeyFEOIHIRAFQRGFU-UHFFFAOYSA-N
XLogP4.13
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol (CID 44580409) is 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol is CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CN4CCC(O)CC4)cc3)n2n1.
What is the InChIKey of 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol?
The InChIKey is FEOIHIRAFQRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-30(17-19-4-8-22(27)9-5-19)26-11-10-25-28-16-24(32(25)29-26)21-6-2-20(3-7-21)18-31-14-12-23(33)13-15-31/h2-11,16,23,33H,12-15,17-18H2,1H3.
What are the key properties of 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol?
1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol has a molecular weight of 445.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-[(4-fluorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 44580409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).