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

C20H19FN6O2 — CID 171062779

IUPAC5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
SMILESC[C@@H](Nc1ccc2ncc(-c3cc(CCO)ccn3)n2n1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C20H19FN6O2/c1-12(15-9-14(21)10-24-20(15)29)25-18-2-3-19-23-11-17(27(19)26-18)16-8-13(5-7-28)4-6-22-16/h2-4,6,8-12,28H,5,7H2,1H3,(H,24,29)(H,25,26)/t12-/m1/s1
InChIKeyMFYODTDUGQTORJ-GFCCVEGCSA-N
MW394.41 g/mol
LogP2.33
Rot. Bonds6

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

5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 171062779) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]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)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID171062779
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one
SMILESC[C@@H](Nc1ccc2ncc(-c3cc(CCO)ccn3)n2n1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C20H19FN6O2/c1-12(15-9-14(21)10-24-20(15)29)25-18-2-3-19-23-11-17(27(19)26-18)16-8-13(5-7-28)4-6-22-16/h2-4,6,8-12,28H,5,7H2,1H3,(H,24,29)(H,25,26)/t12-/m1/s1
InChIKeyMFYODTDUGQTORJ-GFCCVEGCSA-N
XLogP2.33
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]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)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one (CID 171062779) is 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]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)-2-pyridinyl]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)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one is C[C@@H](Nc1ccc2ncc(-c3cc(CCO)ccn3)n2n1)c1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is MFYODTDUGQTORJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-12(15-9-14(21)10-24-20(15)29)25-18-2-3-19-23-11-17(27(19)26-18)16-8-13(5-7-28)4-6-22-16/h2-4,6,8-12,28H,5,7H2,1H3,(H,24,29)(H,25,26)/t12-/m1/s1.
What are the key properties of 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one?
5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 394.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(1R)-1-[[3-[4-(2-hydroxyethyl)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 171062779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).