3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C24H22ClF4N3O2 — CID 22050837

IUPAC3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C24H22ClF4N3O2/c1-14-9-21(34-13-15-3-4-16(26)10-18(15)27)22(25)24(33)32(14)23-19(28)11-17(12-20(23)29)31-7-5-30(2)6-8-31/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeyGQNDLBHAIXJGDR-UHFFFAOYSA-N
MW495.90 g/mol
LogP4.69
Rot. Bonds5

About 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 22050837) has the molecular formula C24H22ClF4N3O2 and a molecular weight of 495.90 g/mol. Its IUPAC name is 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID22050837
Molecular FormulaC24H22ClF4N3O2
Molecular Weight495.90 g/mol
Exact Mass495.13
IUPAC Name3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C24H22ClF4N3O2/c1-14-9-21(34-13-15-3-4-16(26)10-18(15)27)22(25)24(33)32(14)23-19(28)11-17(12-20(23)29)31-7-5-30(2)6-8-31/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeyGQNDLBHAIXJGDR-UHFFFAOYSA-N
XLogP4.69
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 22050837) is 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cc(N2CCN(C)CC2)cc1F.
What is the InChIKey of 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is GQNDLBHAIXJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF4N3O2/c1-14-9-21(34-13-15-3-4-16(26)10-18(15)27)22(25)24(33)32(14)23-19(28)11-17(12-20(23)29)31-7-5-30(2)6-8-31/h3-4,9-12H,5-8,13H2,1-2H3.
What are the key properties of 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 495.90 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 22050837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).