6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine

C21H24F2N6O — CID 177159350

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(N[C@@H]4CCCN[C@@H]4C)c(F)cc3F)n2nc1C1CC1
InChIInChI=1S/C21H24F2N6O/c1-11-15(4-3-7-24-11)26-21-14(23)8-13(22)20(27-21)16-10-25-18-9-17(30-2)19(12-5-6-12)28-29(16)18/h8-12,15,24H,3-7H2,1-2H3,(H,26,27)/t11-,15-/m1/s1
InChIKeyFJZGNJCMMHVBDI-IAQYHMDHSA-N
MW414.46 g/mol
LogP3.51
Rot. Bonds5

About 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine (PubChem CID 177159350) has the molecular formula C21H24F2N6O and a molecular weight of 414.46 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine
PubChem CID177159350
Molecular FormulaC21H24F2N6O
Molecular Weight414.46 g/mol
Exact Mass414.20
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(N[C@@H]4CCCN[C@@H]4C)c(F)cc3F)n2nc1C1CC1
InChIInChI=1S/C21H24F2N6O/c1-11-15(4-3-7-24-11)26-21-14(23)8-13(22)20(27-21)16-10-25-18-9-17(30-2)19(12-5-6-12)28-29(16)18/h8-12,15,24H,3-7H2,1-2H3,(H,26,27)/t11-,15-/m1/s1
InChIKeyFJZGNJCMMHVBDI-IAQYHMDHSA-N
XLogP3.51
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine with MolForge

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Related Compounds

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-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-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630960
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-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 177159307
3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane
CID 170631237
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine
CID 177159256
6-(6-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;piperidine
CID 170631167
[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine
CID 177159236
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-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine?
The IUPAC name of 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) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3nc(N[C@@H]4CCCN[C@@H]4C)c(F)cc3F)n2nc1C1CC1.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine?
The InChIKey is FJZGNJCMMHVBDI-IAQYHMDHSA-N. The full InChI is InChI=1S/C21H24F2N6O/c1-11-15(4-3-7-24-11)26-21-14(23)8-13(22)20(27-21)16-10-25-18-9-17(30-2)19(12-5-6-12)28-29(16)18/h8-12,15,24H,3-7H2,1-2H3,(H,26,27)/t11-,15-/m1/s1.
What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine has a molecular weight of 414.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 177159350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).