5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one

C19H18FN7O2 — CID 171062778

IUPAC5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
SMILESC[C@@H](Nc1ccc2ncc(-c3nccc(CCO)n3)n2n1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C19H18FN7O2/c1-11(14-8-12(20)9-23-19(14)29)24-16-2-3-17-22-10-15(27(17)26-16)18-21-6-4-13(25-18)5-7-28/h2-4,6,8-11,28H,5,7H2,1H3,(H,23,29)(H,24,26)/t11-/m1/s1
InChIKeyVIYDCKNDGRXFFE-LLVKDONJSA-N
MW395.40 g/mol
LogP1.72
Rot. Bonds6

About 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one

5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 171062778) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID171062778
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
SMILESC[C@@H](Nc1ccc2ncc(-c3nccc(CCO)n3)n2n1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C19H18FN7O2/c1-11(14-8-12(20)9-23-19(14)29)24-16-2-3-17-22-10-15(27(17)26-16)18-21-6-4-13(25-18)5-7-28/h2-4,6,8-11,28H,5,7H2,1H3,(H,23,29)(H,24,26)/t11-/m1/s1
InChIKeyVIYDCKNDGRXFFE-LLVKDONJSA-N
XLogP1.72
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
CID 171062779
3-[1-(azetidin-3-yl)triazol-4-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 171060750
(2R)-1-[4-[6-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]imidazo[1,2-b]pyridazin-3-yl]triazol-1-yl]propan-2-ol
CID 171060738
6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 167024611
2-[(1R)-1-[[3-[1-(4-aminophenyl)triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-4-fluorophenol
CID 171060746
2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 130348419
6-[[(1R)-1-[(2R)-2-(aminomethyl)-5-fluoro-2-methyl-3H-1-benzofuran-7-yl]ethyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 155318816
4-fluoro-2-[(1R)-1-[[3-[1-[(1R,3R)-3-hydroxycyclopentyl]triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]phenol
CID 171060736
3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine;methane
CID 161077798
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420153
2-[(3-cyclopenta-1,3-dien-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 140905478

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one (CID 171062778) is 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one is C[C@@H](Nc1ccc2ncc(-c3nccc(CCO)n3)n2n1)c1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is VIYDCKNDGRXFFE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-11(14-8-12(20)9-23-19(14)29)24-16-2-3-17-22-10-15(27(17)26-16)18-21-6-4-13(25-18)5-7-28/h2-4,6,8-11,28H,5,7H2,1H3,(H,23,29)(H,24,26)/t11-/m1/s1.
What are the key properties of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one?
5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 395.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)pyrimidin-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 171062778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).