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

C22H25F3N6O — CID 170630960

IUPAC6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)n2nc1C1CCCCC1
InChIInChI=1S/C22H25F3N6O/c1-32-18-8-19-27-11-17(31(19)30-20(18)12-5-3-2-4-6-12)21-13(23)7-14(24)22(29-21)28-16-10-26-9-15(16)25/h7-8,11-12,15-16,26H,2-6,9-10H2,1H3,(H,28,29)
InChIKeyVITDQFGDGMQUSA-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.85
Rot. Bonds5

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

6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine (PubChem CID 170630960) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
PubChem CID170630960
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC Name6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)n2nc1C1CCCCC1
InChIInChI=1S/C22H25F3N6O/c1-32-18-8-19-27-11-17(31(19)30-20(18)12-5-3-2-4-6-12)21-13(23)7-14(24)22(29-21)28-16-10-26-9-15(16)25/h7-8,11-12,15-16,26H,2-6,9-10H2,1H3,(H,28,29)
InChIKeyVITDQFGDGMQUSA-UHFFFAOYSA-N
XLogP3.85
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.85
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-fluoropyrrolidin-3-yl)pyridin-2-amine with MolForge

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Related Compounds

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-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933
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
2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 170631006
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-fluoropyrrolidin-3-yl)-5-methoxypyridin-2-amine
CID 170631062
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-[(3S,4S)-4-fluoropyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 170630919
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(5,5-difluoropiperidin-3-yl)-3,5-difluoropyridin-2-amine
CID 177159288
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

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-fluoropyrrolidin-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-fluoropyrrolidin-3-yl)pyridin-2-amine (CID 170630960) is 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-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-fluoropyrrolidin-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-fluoropyrrolidin-3-yl)pyridin-2-amine is COc1cc2ncc(-c3nc(NC4CNCC4F)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-fluoropyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is VITDQFGDGMQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-32-18-8-19-27-11-17(31(19)30-20(18)12-5-3-2-4-6-12)21-13(23)7-14(24)22(29-21)28-16-10-26-9-15(16)25/h7-8,11-12,15-16,26H,2-6,9-10H2,1H3,(H,28,29).
What are the key properties of 6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 446.48 g/mol, XLogP of 3.85, 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-fluoropyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 170630960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).