(3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione

C148H172Cl4F12N20O16 — CID 164974176

About (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione

(3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione (PubChem CID 164974176) has the molecular formula C148H172Cl4F12N20O16 and a molecular weight of 2856.92 g/mol. Its IUPAC name is (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
• PubChem CID: 164974176
• Molecular Formula: C148H172Cl4F12N20O16
• Molecular Weight: 2856.92 g/mol
• Exact Mass: 2853.18
• IUPAC Name: (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@@H](C2CCN(c3ccc(N[C@@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@@H](C2CCN(c3ccc(N[C@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@H](C2CCN(c3ccc(N[C@@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@H](C2CCN(c3ccc(N[C@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1
• InChI: InChI=1S/4C37H43ClF3N5O4/c4*1-21-22(2)36(49)44(3)18-26(21)24-15-29(38)27(33(16-24)50-4)19-45-12-11-28(37(40,41)20-45)23-9-13-46(14-10-23)32-7-5-25(17-30(32)39)42-31-6-8-34(47)43-35(31)48/h4*5,7,15-18,23,28,31,42H,6,8-14,19-20H2,1-4H3,(H,43,47,48)/t2*28-,31+;2*28-,31-/m1010/s1
• InChIKey: DNQUACQVWNGUBH-BSWAYFERSA-N
• XLogP: 24.24
• TPSA: 383.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2856.92
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?

The IUPAC name of (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione (CID 164974176) is (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione.

What is the SMILES notation for (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?

The canonical SMILES for (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@@H](C2CCN(c3ccc(N[C@@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@@H](C2CCN(c3ccc(N[C@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@H](C2CCN(c3ccc(N[C@@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CC[C@H](C2CCN(c3ccc(N[C@H]4CCC(=O)NC4=O)cc3F)CC2)C(F)(F)C1.

What is the InChIKey of (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?

The InChIKey is DNQUACQVWNGUBH-BSWAYFERSA-N. The full InChI is InChI=1S/4C37H43ClF3N5O4/c4*1-21-22(2)36(49)44(3)18-26(21)24-15-29(38)27(33(16-24)50-4)19-45-12-11-28(37(40,41)20-45)23-9-13-46(14-10-23)32-7-5-25(17-30(32)39)42-31-6-8-34(47)43-35(31)48/h4*5,7,15-18,23,28,31,42H,6,8-14,19-20H2,1-4H3,(H,43,47,48)/t2*28-,31+;2*28-,31-/m1010/s1.

What are the key properties of (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?

(3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione has a molecular weight of 2856.92 g/mol, XLogP of 24.24, 32 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4S)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3R)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione;(3S)-3-[4-[4-[(4R)-1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 164974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).