5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one

C24H28FN5O2 — CID 58042877

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one
SMILESCN1CCN(Cc2ccc(CCn3ncc(OCc4ccc(F)cn4)cc3=O)cc2)CC1
InChIInChI=1S/C24H28FN5O2/c1-28-10-12-29(13-11-28)17-20-4-2-19(3-5-20)8-9-30-24(31)14-23(16-27-30)32-18-22-7-6-21(25)15-26-22/h2-7,14-16H,8-13,17-18H2,1H3
InChIKeyGDWPERVGENNGAE-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.35
Rot. Bonds8

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one (PubChem CID 58042877) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one
PubChem CID58042877
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one
SMILESCN1CCN(Cc2ccc(CCn3ncc(OCc4ccc(F)cn4)cc3=O)cc2)CC1
InChIInChI=1S/C24H28FN5O2/c1-28-10-12-29(13-11-28)17-20-4-2-19(3-5-20)8-9-30-24(31)14-23(16-27-30)32-18-22-7-6-21(25)15-26-22/h2-7,14-16H,8-13,17-18H2,1H3
InChIKeyGDWPERVGENNGAE-UHFFFAOYSA-N
XLogP2.35
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one (CID 58042877) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one is CN1CCN(Cc2ccc(CCn3ncc(OCc4ccc(F)cn4)cc3=O)cc2)CC1.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one?
The InChIKey is GDWPERVGENNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-28-10-12-29(13-11-28)17-20-4-2-19(3-5-20)8-9-30-24(31)14-23(16-27-30)32-18-22-7-6-21(25)15-26-22/h2-7,14-16H,8-13,17-18H2,1H3.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one has a molecular weight of 437.52 g/mol, XLogP of 2.35, 8 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-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]pyridazin-3-one is sourced from PubChem (CID 58042877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).