6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine

C23H30F2N6O — CID 170631167

IUPAC6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine
SMILESC1CCNCC1.COc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CCCCC1
InChIInChI=1S/C18H19F2N5O.C5H11N/c1-26-14-8-15-22-9-13(17-11(19)7-12(20)18(21)23-17)25(15)24-16(14)10-5-3-2-4-6-10;1-2-4-6-5-3-1/h7-10H,2-6H2,1H3,(H2,21,23);6H,1-5H2
InChIKeyJGSGNCANORLFOL-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.47
Rot. Bonds3

About 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine

6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine (PubChem CID 170631167) has the molecular formula C23H30F2N6O and a molecular weight of 444.53 g/mol. Its IUPAC name is 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine.

Molecular Properties

Compound Name6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine
PubChem CID170631167
Molecular FormulaC23H30F2N6O
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine
SMILESC1CCNCC1.COc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CCCCC1
InChIInChI=1S/C18H19F2N5O.C5H11N/c1-26-14-8-15-22-9-13(17-11(19)7-12(20)18(21)23-17)25(15)24-16(14)10-5-3-2-4-6-10;1-2-4-6-5-3-1/h7-10H,2-6H2,1H3,(H2,21,23);6H,1-5H2
InChIKeyJGSGNCANORLFOL-UHFFFAOYSA-N
XLogP4.47
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine?
The IUPAC name of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine (CID 170631167) is 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine.
What is the SMILES notation for 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine?
The canonical SMILES for 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine is C1CCNCC1.COc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CCCCC1.
What is the InChIKey of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine?
The InChIKey is JGSGNCANORLFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O.C5H11N/c1-26-14-8-15-22-9-13(17-11(19)7-12(20)18(21)23-17)25(15)24-16(14)10-5-3-2-4-6-10;1-2-4-6-5-3-1/h7-10H,2-6H2,1H3,(H2,21,23);6H,1-5H2.
What are the key properties of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine?
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine has a molecular weight of 444.53 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine is sourced from PubChem (CID 170631167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).