5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one

C23H22FN5O2 — CID 58093380

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one
SMILESCn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)nc31)CCCCC2
InChIInChI=1S/C23H22FN5O2/c1-28-20-6-4-2-3-5-18(20)19-9-10-21(27-23(19)28)29-22(30)11-17(13-26-29)31-14-16-8-7-15(24)12-25-16/h7-13H,2-6,14H2,1H3
InChIKeyFWBNUDZRMCSHJJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.50
Rot. Bonds4

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one (PubChem CID 58093380) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one
PubChem CID58093380
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one
SMILESCn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)nc31)CCCCC2
InChIInChI=1S/C23H22FN5O2/c1-28-20-6-4-2-3-5-18(20)19-9-10-21(27-23(19)28)29-22(30)11-17(13-26-29)31-14-16-8-7-15(24)12-25-16/h7-13H,2-6,14H2,1H3
InChIKeyFWBNUDZRMCSHJJ-UHFFFAOYSA-N
XLogP3.50
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one (CID 58093380) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one is Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)nc31)CCCCC2.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one?
The InChIKey is FWBNUDZRMCSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-28-20-6-4-2-3-5-18(20)19-9-10-21(27-23(19)28)29-22(30)11-17(13-26-29)31-14-16-8-7-15(24)12-25-16/h7-13H,2-6,14H2,1H3.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one has a molecular weight of 419.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridazin-3-one is sourced from PubChem (CID 58093380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).