3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine

C19H19F5N6O — CID 170769638

IUPAC3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(NC4CCCNC4)c(F)cc3F)n2nc1CC(F)(F)F
InChIInChI=1S/C19H19F5N6O/c1-31-15-6-16-26-9-14(30(16)29-13(15)7-19(22,23)24)17-11(20)5-12(21)18(28-17)27-10-3-2-4-25-8-10/h5-6,9-10,25H,2-4,7-8H2,1H3,(H,27,28)
InChIKeyNWQDNUJRIMSHKD-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.35
Rot. Bonds5

About 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine

3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine (PubChem CID 170769638) has the molecular formula C19H19F5N6O and a molecular weight of 442.39 g/mol. Its IUPAC name is 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine
PubChem CID170769638
Molecular FormulaC19H19F5N6O
Molecular Weight442.39 g/mol
Exact Mass442.15
IUPAC Name3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine
SMILESCOc1cc2ncc(-c3nc(NC4CCCNC4)c(F)cc3F)n2nc1CC(F)(F)F
InChIInChI=1S/C19H19F5N6O/c1-31-15-6-16-26-9-14(30(16)29-13(15)7-19(22,23)24)17-11(20)5-12(21)18(28-17)27-10-3-2-4-25-8-10/h5-6,9-10,25H,2-4,7-8H2,1H3,(H,27,28)
InChIKeyNWQDNUJRIMSHKD-UHFFFAOYSA-N
XLogP3.35
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine with MolForge

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Related Compounds

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-(2-methoxyethoxy)imidazo[1,2-b]pyridazin-3-yl]-3,5-difluoro-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 177159307
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
(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 177159627
2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961812
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-cyclohexyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 170630933
5-fluoro-6-(7-methoxy-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-(piperidin-3-ylamino)pyridine-3-carbonitrile
CID 177159285
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
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(5,5-difluoropiperidin-3-yl)-3,5-difluoropyridin-2-amine
CID 177159288
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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine?
The IUPAC name of 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) is 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine is COc1cc2ncc(-c3nc(NC4CCCNC4)c(F)cc3F)n2nc1CC(F)(F)F.
What is the InChIKey of 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine?
The InChIKey is NWQDNUJRIMSHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N6O/c1-31-15-6-16-26-9-14(30(16)29-13(15)7-19(22,23)24)17-11(20)5-12(21)18(28-17)27-10-3-2-4-25-8-10/h5-6,9-10,25H,2-4,7-8H2,1H3,(H,27,28).
What are the key properties of 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine?
3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine has a molecular weight of 442.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 170769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).