3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine

C17H20FN7 — CID 167122374

IUPAC3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2n1
InChIInChI=1S/C17H20FN7/c1-24(2)17-7-6-16-20-10-14(25(16)23-17)12-4-3-5-15(21-12)22-13-9-19-8-11(13)18/h3-7,10-11,13,19H,8-9H2,1-2H3,(H,21,22)/t11-,13-/m0/s1
InChIKeyFVRYTFSHFPFHBG-AAEUAGOBSA-N
MW341.39 g/mol
LogP1.58
Rot. Bonds4

About 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine

3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 167122374) has the molecular formula C17H20FN7 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine
PubChem CID167122374
Molecular FormulaC17H20FN7
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC Name3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2n1
InChIInChI=1S/C17H20FN7/c1-24(2)17-7-6-16-20-10-14(25(16)23-17)12-4-3-5-15(21-12)22-13-9-19-8-11(13)18/h3-7,10-11,13,19H,8-9H2,1-2H3,(H,21,22)/t11-,13-/m0/s1
InChIKeyFVRYTFSHFPFHBG-AAEUAGOBSA-N
XLogP1.58
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine (CID 167122374) is 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine is CN(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2n1.
What is the InChIKey of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FVRYTFSHFPFHBG-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H20FN7/c1-24(2)17-7-6-16-20-10-14(25(16)23-17)12-4-3-5-15(21-12)22-13-9-19-8-11(13)18/h3-7,10-11,13,19H,8-9H2,1-2H3,(H,21,22)/t11-,13-/m0/s1.
What are the key properties of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine?
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 341.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N,N-dimethylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 167122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).