7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one

C23H20FN5O2 — CID 168998694

IUPAC7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one
SMILESCc1c(N2CCc3ncc(Oc4ccccc4F)cc3C2)nn2c(=O)ccnc2c1C
InChIInChI=1S/C23H20FN5O2/c1-14-15(2)23(27-29-21(30)7-9-25-22(14)29)28-10-8-19-16(13-28)11-17(12-26-19)31-20-6-4-3-5-18(20)24/h3-7,9,11-12H,8,10,13H2,1-2H3
InChIKeyODKZIDWWMZXUQD-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.60
Rot. Bonds3

About 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one

7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998694) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one
PubChem CID168998694
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one
SMILESCc1c(N2CCc3ncc(Oc4ccccc4F)cc3C2)nn2c(=O)ccnc2c1C
InChIInChI=1S/C23H20FN5O2/c1-14-15(2)23(27-29-21(30)7-9-25-22(14)29)28-10-8-19-16(13-28)11-17(12-26-19)31-20-6-4-3-5-18(20)24/h3-7,9,11-12H,8,10,13H2,1-2H3
InChIKeyODKZIDWWMZXUQD-UHFFFAOYSA-N
XLogP3.60
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one (CID 168998694) is 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one is Cc1c(N2CCc3ncc(Oc4ccccc4F)cc3C2)nn2c(=O)ccnc2c1C.
What is the InChIKey of 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one?
The InChIKey is ODKZIDWWMZXUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-15(2)23(27-29-21(30)7-9-25-22(14)29)28-10-8-19-16(13-28)11-17(12-26-19)31-20-6-4-3-5-18(20)24/h3-7,9,11-12H,8,10,13H2,1-2H3.
What are the key properties of 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one?
7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 417.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8,9-dimethylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).