5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one

C25H27FN4O4 — CID 91759574

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C25H27FN4O4/c1-17-10-18(14-29-8-6-21(31)7-9-29)2-5-23(17)24(32)15-30-25(33)11-22(13-28-30)34-16-20-4-3-19(26)12-27-20/h2-5,10-13,21,31H,6-9,14-16H2,1H3
InChIKeyNMHHIGSLTQJWNE-UHFFFAOYSA-N
MW466.51 g/mol
LogP2.50
Rot. Bonds8

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one (PubChem CID 91759574) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
PubChem CID91759574
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C25H27FN4O4/c1-17-10-18(14-29-8-6-21(31)7-9-29)2-5-23(17)24(32)15-30-25(33)11-22(13-28-30)34-16-20-4-3-19(26)12-27-20/h2-5,10-13,21,31H,6-9,14-16H2,1H3
InChIKeyNMHHIGSLTQJWNE-UHFFFAOYSA-N
XLogP2.50
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one (CID 91759574) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one is Cc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is NMHHIGSLTQJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-17-10-18(14-29-8-6-21(31)7-9-29)2-5-23(17)24(32)15-30-25(33)11-22(13-28-30)34-16-20-4-3-19(26)12-27-20/h2-5,10-13,21,31H,6-9,14-16H2,1H3.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 466.51 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 91759574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).