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

C20H23F3N6O — CID 177159256

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine
SMILESCOc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CC1.FC1CCCNC1
InChIInChI=1S/C15H13F2N5O.C5H10FN/c1-23-11-5-12-19-6-10(22(12)21-13(11)7-2-3-7)14-8(16)4-9(17)15(18)20-14;6-5-2-1-3-7-4-5/h4-7H,2-3H2,1H3,(H2,18,20);5,7H,1-4H2
InChIKeyUXZSZOKKBVFXOG-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.25
Rot. Bonds3

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

6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine (PubChem CID 177159256) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine
PubChem CID177159256
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine
SMILESCOc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CC1.FC1CCCNC1
InChIInChI=1S/C15H13F2N5O.C5H10FN/c1-23-11-5-12-19-6-10(22(12)21-13(11)7-2-3-7)14-8(16)4-9(17)15(18)20-14;6-5-2-1-3-7-4-5/h4-7H,2-3H2,1H3,(H2,18,20);5,7H,1-4H2
InChIKeyUXZSZOKKBVFXOG-UHFFFAOYSA-N
XLogP3.25
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-fluoropyridin-2-amine
CID 170631232
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)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine
CID 177159350
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
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-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630960
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)-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-difluoropyridin-2-amine;3-fluoropiperidine?
The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine (CID 177159256) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine is COc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CC1.FC1CCCNC1.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine?
The InChIKey is UXZSZOKKBVFXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O.C5H10FN/c1-23-11-5-12-19-6-10(22(12)21-13(11)7-2-3-7)14-8(16)4-9(17)15(18)20-14;6-5-2-1-3-7-4-5/h4-7H,2-3H2,1H3,(H2,18,20);5,7H,1-4H2.
What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine has a molecular weight of 420.44 g/mol, XLogP of 3.25, 3 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-difluoropyridin-2-amine;3-fluoropiperidine is sourced from PubChem (CID 177159256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).