6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine

C23H27F3N6O — CID 170630933

IUPAC6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)n2nc1C1CCCCC1
InChIInChI=1S/C23H27F3N6O/c1-33-19-10-20-28-12-18(32(20)31-21(19)13-5-3-2-4-6-13)22-15(25)9-16(26)23(30-22)29-17-11-27-8-7-14(17)24/h9-10,12-14,17,27H,2-8,11H2,1H3,(H,29,30)
InChIKeyPNVTZSCLIIULCP-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.24
Rot. Bonds5

About 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine

6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine (PubChem CID 170630933) has the molecular formula C23H27F3N6O and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
PubChem CID170630933
Molecular FormulaC23H27F3N6O
Molecular Weight460.50 g/mol
Exact Mass460.22
IUPAC Name6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)n2nc1C1CCCCC1
InChIInChI=1S/C23H27F3N6O/c1-33-19-10-20-28-12-18(32(20)31-21(19)13-5-3-2-4-6-13)22-15(25)9-16(26)23(30-22)29-17-11-27-8-7-14(17)24/h9-10,12-14,17,27H,2-8,11H2,1H3,(H,29,30)
InChIKeyPNVTZSCLIIULCP-UHFFFAOYSA-N
XLogP4.24
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine with MolForge

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Related Compounds

6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630960
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630869
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(3R,4R)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630965
6-[6-(1-bicyclo[1.1.1]pentanyl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
CID 170631281
(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 177159627
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine
CID 177159350
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(2-methylpiperidin-3-yl)pyridin-2-amine;ethane
CID 177159503
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-3-methoxypyridin-2-amine
CID 170631276
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine
CID 170631167
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)-4-methylpyridin-2-amine
CID 174291202
5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 177159461
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630990

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine (CID 170630933) is 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine is COc1cc2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)n2nc1C1CCCCC1.
What is the InChIKey of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?
The InChIKey is PNVTZSCLIIULCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O/c1-33-19-10-20-28-12-18(32(20)31-21(19)13-5-3-2-4-6-13)22-15(25)9-16(26)23(30-22)29-17-11-27-8-7-14(17)24/h9-10,12-14,17,27H,2-8,11H2,1H3,(H,29,30).
What are the key properties of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine has a molecular weight of 460.50 g/mol, XLogP of 4.24, 5 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-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 170630933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).