5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one

C25H27FN4O3 — CID 71731047

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CCCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C25H27FN4O3/c1-18-11-19(15-29-9-3-2-4-10-29)5-8-23(18)24(31)16-30-25(32)12-22(14-28-30)33-17-21-7-6-20(26)13-27-21/h5-8,11-14H,2-4,9-10,15-17H2,1H3
InChIKeyKHCLNEZBOLSWAW-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.53
Rot. Bonds8

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one (PubChem CID 71731047) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one
PubChem CID71731047
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CCCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C25H27FN4O3/c1-18-11-19(15-29-9-3-2-4-10-29)5-8-23(18)24(31)16-30-25(32)12-22(14-28-30)33-17-21-7-6-20(26)13-27-21/h5-8,11-14H,2-4,9-10,15-17H2,1H3
InChIKeyKHCLNEZBOLSWAW-UHFFFAOYSA-N
XLogP3.53
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.53
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-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one (CID 71731047) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one is Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is KHCLNEZBOLSWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-18-11-19(15-29-9-3-2-4-10-29)5-8-23(18)24(31)16-30-25(32)12-22(14-28-30)33-17-21-7-6-20(26)13-27-21/h5-8,11-14H,2-4,9-10,15-17H2,1H3.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 450.51 g/mol, XLogP of 3.53, 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-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 71731047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).