3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione

C38H42F2N6O4 — CID 164719650

IUPAC3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C38H42F2N6O4/c1-44-21-30(28-7-12-41-20-29(28)38(44)49)24-17-32(39)31(35(18-24)50-2)22-45-13-10-26(11-14-45)46-15-8-23(9-16-46)27-4-3-25(19-33(27)40)42-34-5-6-36(47)43-37(34)48/h3-4,7,12,17-21,23,26,34,42H,5-6,8-11,13-16,22H2,1-2H3,(H,43,47,48)
InChIKeyYTKZZACWJVPORK-UHFFFAOYSA-N
MW684.79 g/mol
LogP4.95
Rot. Bonds8

About 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione

3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 164719650) has the molecular formula C38H42F2N6O4 and a molecular weight of 684.79 g/mol. Its IUPAC name is 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione
PubChem CID164719650
Molecular FormulaC38H42F2N6O4
Molecular Weight684.79 g/mol
Exact Mass684.32
IUPAC Name3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C38H42F2N6O4/c1-44-21-30(28-7-12-41-20-29(28)38(44)49)24-17-32(39)31(35(18-24)50-2)22-45-13-10-26(11-14-45)46-15-8-23(9-16-46)27-4-3-25(19-33(27)40)42-34-5-6-36(47)43-37(34)48/h3-4,7,12,17-21,23,26,34,42H,5-6,8-11,13-16,22H2,1-2H3,(H,43,47,48)
InChIKeyYTKZZACWJVPORK-UHFFFAOYSA-N
XLogP4.95
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500684.79
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 164719650) is 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCC(N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.
What is the InChIKey of 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The InChIKey is YTKZZACWJVPORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42F2N6O4/c1-44-21-30(28-7-12-41-20-29(28)38(44)49)24-17-32(39)31(35(18-24)50-2)22-45-13-10-26(11-14-45)46-15-8-23(9-16-46)27-4-3-25(19-33(27)40)42-34-5-6-36(47)43-37(34)48/h3-4,7,12,17-21,23,26,34,42H,5-6,8-11,13-16,22H2,1-2H3,(H,43,47,48).
What are the key properties of 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione?
3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 684.79 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164719650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).