3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C26H23Cl2FN4O4 — CID 166467022

IUPAC3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-n2cccc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2Cl)c(Cl)c1=O
InChIInChI=1S/C26H23Cl2FN4O4/c1-14-11-31-22(32-7-5-6-17(24(32)34)26(3,4)36)10-20(14)33-15(2)8-21(23(28)25(33)35)37-13-19-18(27)9-16(29)12-30-19/h5-12,36H,13H2,1-4H3
InChIKeyUBUNMXDLLOPUIM-UHFFFAOYSA-N
MW545.40 g/mol
LogP4.65
Rot. Bonds6

About 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 166467022) has the molecular formula C26H23Cl2FN4O4 and a molecular weight of 545.40 g/mol. Its IUPAC name is 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID166467022
Molecular FormulaC26H23Cl2FN4O4
Molecular Weight545.40 g/mol
Exact Mass544.11
IUPAC Name3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-n2cccc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2Cl)c(Cl)c1=O
InChIInChI=1S/C26H23Cl2FN4O4/c1-14-11-31-22(32-7-5-6-17(24(32)34)26(3,4)36)10-20(14)33-15(2)8-21(23(28)25(33)35)37-13-19-18(27)9-16(29)12-30-19/h5-12,36H,13H2,1-4H3
InChIKeyUBUNMXDLLOPUIM-UHFFFAOYSA-N
XLogP4.65
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 166467022) is 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-n2cccc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2Cl)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is UBUNMXDLLOPUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN4O4/c1-14-11-31-22(32-7-5-6-17(24(32)34)26(3,4)36)10-20(14)33-15(2)8-21(23(28)25(33)35)37-13-19-18(27)9-16(29)12-30-19/h5-12,36H,13H2,1-4H3.
What are the key properties of 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 545.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-chloro-5-fluoro-2-pyridinyl)methoxy]-1-[2-[3-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 166467022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).