[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine

C23H33FN6O2 — CID 177159236

IUPAC[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine
SMILESC1CCNCC1.CC.COc1cc2ncc(-c3nc(N)c(CO)cc3F)n2nc1C1CC1
InChIInChI=1S/C16H16FN5O2.C5H11N.C2H6/c1-24-12-5-13-19-6-11(22(13)21-14(12)8-2-3-8)15-10(17)4-9(7-23)16(18)20-15;1-2-4-6-5-3-1;1-2/h4-6,8,23H,2-3,7H2,1H3,(H2,18,20);6H,1-5H2;1-2H3
InChIKeyDSJSMSYYDZBZDR-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.68
Rot. Bonds4

About [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine

[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine (PubChem CID 177159236) has the molecular formula C23H33FN6O2 and a molecular weight of 444.56 g/mol. Its IUPAC name is [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine.

Molecular Properties

Compound Name[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine
PubChem CID177159236
Molecular FormulaC23H33FN6O2
Molecular Weight444.56 g/mol
Exact Mass444.26
IUPAC Name[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine
SMILESC1CCNCC1.CC.COc1cc2ncc(-c3nc(N)c(CO)cc3F)n2nc1C1CC1
InChIInChI=1S/C16H16FN5O2.C5H11N.C2H6/c1-24-12-5-13-19-6-11(22(13)21-14(12)8-2-3-8)15-10(17)4-9(7-23)16(18)20-15;1-2-4-6-5-3-1;1-2/h4-6,8,23H,2-3,7H2,1H3,(H2,18,20);6H,1-5H2;1-2H3
InChIKeyDSJSMSYYDZBZDR-UHFFFAOYSA-N
XLogP3.68
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoropyridin-2-amine;3-fluoropiperidine
CID 177159256
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoropyridin-2-amine
CID 170631232
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-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)-3,5-difluoro-N-[(2R,3R)-2-methylpiperidin-3-yl]pyridin-2-amine
CID 177159350
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-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-fluoropyridin-2-amine
CID 164537189
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
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(5,5-difluoropiperidin-3-yl)-3,5-difluoropyridin-2-amine
CID 177159288

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine?
The IUPAC name of [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine (CID 177159236) is [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine.
What is the SMILES notation for [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine?
The canonical SMILES for [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine is C1CCNCC1.CC.COc1cc2ncc(-c3nc(N)c(CO)cc3F)n2nc1C1CC1.
What is the InChIKey of [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine?
The InChIKey is DSJSMSYYDZBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2.C5H11N.C2H6/c1-24-12-5-13-19-6-11(22(13)21-14(12)8-2-3-8)15-10(17)4-9(7-23)16(18)20-15;1-2-4-6-5-3-1;1-2/h4-6,8,23H,2-3,7H2,1H3,(H2,18,20);6H,1-5H2;1-2H3.
What are the key properties of [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine?
[2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine has a molecular weight of 444.56 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-3-pyridinyl]methanol;ethane;piperidine is sourced from PubChem (CID 177159236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).