5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile

C22H25FN8O2 — CID 177159285

IUPAC5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile
SMILESCOc1cc2ncc(-c3nc(NC4CCCNC4)c(C#N)cc3F)n2nc1N1CCOCC1
InChIInChI=1S/C22H25FN8O2/c1-32-18-10-19-26-13-17(31(19)29-22(18)30-5-7-33-8-6-30)20-16(23)9-14(11-24)21(28-20)27-15-3-2-4-25-12-15/h9-10,13,15,25H,2-8,12H2,1H3,(H,27,28)
InChIKeyCWDJHWMIRUSOBP-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.81
Rot. Bonds5

About 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile

5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile (PubChem CID 177159285) has the molecular formula C22H25FN8O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile
PubChem CID177159285
Molecular FormulaC22H25FN8O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC Name5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile
SMILESCOc1cc2ncc(-c3nc(NC4CCCNC4)c(C#N)cc3F)n2nc1N1CCOCC1
InChIInChI=1S/C22H25FN8O2/c1-32-18-10-19-26-13-17(31(19)29-22(18)30-5-7-33-8-6-30)20-16(23)9-14(11-24)21(28-20)27-15-3-2-4-25-12-15/h9-10,13,15,25H,2-8,12H2,1H3,(H,27,28)
InChIKeyCWDJHWMIRUSOBP-UHFFFAOYSA-N
XLogP1.81
TPSA112.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-[[(3R)-piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 177159617
ethane;5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile
CID 177159284
5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 177159573
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
5-fluoro-2-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 177159618
3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine
CID 170769638
tert-butyl 3-[[3-cyano-5-fluoro-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 177159611
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-cyclopropylimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-2-(piperidin-3-ylamino)-3-pyridinyl]methanol
CID 177159532
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-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933
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 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile (CID 177159285) is 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile is COc1cc2ncc(-c3nc(NC4CCCNC4)c(C#N)cc3F)n2nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is CWDJHWMIRUSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2/c1-32-18-10-19-26-13-17(31(19)29-22(18)30-5-7-33-8-6-30)20-16(23)9-14(11-24)21(28-20)27-15-3-2-4-25-12-15/h9-10,13,15,25H,2-8,12H2,1H3,(H,27,28).
What are the key properties of 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile?
5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 452.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 177159285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).