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

C26H28FN3O4 — CID 91759550

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C26H28FN3O4/c1-18-12-19(15-29-9-6-22(31)7-10-29)2-5-24(18)25(32)16-30-11-8-23(13-26(30)33)34-17-21-4-3-20(27)14-28-21/h2-5,8,11-14,22,31H,6-7,9-10,15-17H2,1H3
InChIKeyHGUQDYPKMFDPQK-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.11
Rot. Bonds8

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

4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (PubChem CID 91759550) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
PubChem CID91759550
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
SMILESCc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C26H28FN3O4/c1-18-12-19(15-29-9-6-22(31)7-10-29)2-5-24(18)25(32)16-30-11-8-23(13-26(30)33)34-17-21-4-3-20(27)14-28-21/h2-5,8,11-14,22,31H,6-7,9-10,15-17H2,1H3
InChIKeyHGUQDYPKMFDPQK-UHFFFAOYSA-N
XLogP3.11
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one (CID 91759550) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is Cc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(F)cn2)cc1=O.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
The InChIKey is HGUQDYPKMFDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-18-12-19(15-29-9-6-22(31)7-10-29)2-5-24(18)25(32)16-30-11-8-23(13-26(30)33)34-17-21-4-3-20(27)14-28-21/h2-5,8,11-14,22,31H,6-7,9-10,15-17H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one has a molecular weight of 465.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 91759550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).