3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

C20H18F3N7 — CID 139357677

IUPAC3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCC(c5cnc[nH]5)C4)c3)n2n1
InChIInChI=1S/C20H18F3N7/c21-20(22,23)17-3-4-18-26-10-16(30(18)28-17)13-5-6-25-19(8-13)29-7-1-2-14(11-29)15-9-24-12-27-15/h3-6,8-10,12,14H,1-2,7,11H2,(H,24,27)
InChIKeyPYGBXDRQZVXKRY-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.92
Rot. Bonds3

About 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 139357677) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID139357677
Molecular FormulaC20H18F3N7
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC Name3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCC(c5cnc[nH]5)C4)c3)n2n1
InChIInChI=1S/C20H18F3N7/c21-20(22,23)17-3-4-18-26-10-16(30(18)28-17)13-5-6-25-19(8-13)29-7-1-2-14(11-29)15-9-24-12-27-15/h3-6,8-10,12,14H,1-2,7,11H2,(H,24,27)
InChIKeyPYGBXDRQZVXKRY-UHFFFAOYSA-N
XLogP3.92
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 139359419
6-(difluoromethyl)-3-[6-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 139357615
N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide
CID 139358146
3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
CID 139358187
[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139357953
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol
CID 118190619
2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 139357609
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358095
3-nitro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 133450922
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159289603
3-[4-[3-(2-chloro-1H-imidazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358770

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 139357677) is 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCC(c5cnc[nH]5)C4)c3)n2n1.
What is the InChIKey of 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is PYGBXDRQZVXKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7/c21-20(22,23)17-3-4-18-26-10-16(30(18)28-17)13-5-6-25-19(8-13)29-7-1-2-14(11-29)15-9-24-12-27-15/h3-6,8-10,12,14H,1-2,7,11H2,(H,24,27).
What are the key properties of 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 413.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 139357677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).