3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one

C28H25ClF2N4O4 — CID 166466983

IUPAC3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-n2cccc(C3CCOCC3)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C28H25ClF2N4O4/c1-16-13-33-25(34-7-3-4-20(27(34)36)18-5-8-38-9-6-18)12-23(16)35-17(2)10-24(26(29)28(35)37)39-15-22-21(31)11-19(30)14-32-22/h3-4,7,10-14,18H,5-6,8-9,15H2,1-2H3
InChIKeyXBYXPZQYVBMFAI-UHFFFAOYSA-N
MW554.98 g/mol
LogP4.80
Rot. Bonds6

About 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one

3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one (PubChem CID 166466983) has the molecular formula C28H25ClF2N4O4 and a molecular weight of 554.98 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one
PubChem CID166466983
Molecular FormulaC28H25ClF2N4O4
Molecular Weight554.98 g/mol
Exact Mass554.15
IUPAC Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-n2cccc(C3CCOCC3)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C28H25ClF2N4O4/c1-16-13-33-25(34-7-3-4-20(27(34)36)18-5-8-38-9-6-18)12-23(16)35-17(2)10-24(26(29)28(35)37)39-15-22-21(31)11-19(30)14-32-22/h3-4,7,10-14,18H,5-6,8-9,15H2,1-2H3
InChIKeyXBYXPZQYVBMFAI-UHFFFAOYSA-N
XLogP4.80
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.98
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one (CID 166466983) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one is Cc1cnc(-n2cccc(C3CCOCC3)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one?
The InChIKey is XBYXPZQYVBMFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF2N4O4/c1-16-13-33-25(34-7-3-4-20(27(34)36)18-5-8-38-9-6-18)12-23(16)35-17(2)10-24(26(29)28(35)37)39-15-22-21(31)11-19(30)14-32-22/h3-4,7,10-14,18H,5-6,8-9,15H2,1-2H3.
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one has a molecular weight of 554.98 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[3-(oxan-4-yl)-2-oxo-1-pyridinyl]-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 166466983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).