3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C30H27Cl2F3N4O4 — CID 177163278

About 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177163278) has the molecular formula C30H27Cl2F3N4O4 and a molecular weight of 635.47 g/mol. Its IUPAC name is 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 177163278
• Molecular Formula: C30H27Cl2F3N4O4
• Molecular Weight: 635.47 g/mol
• Exact Mass: 634.14
• IUPAC Name: 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(C(=O)N4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)cc(F)c3C2=O)C(=O)N1
• InChI: InChI=1S/C30H27Cl2F3N4O4/c31-20-3-1-2-19(26(20)32)16-6-9-37(10-7-16)23-8-11-38(15-30(23,34)35)28(42)17-12-18-14-39(29(43)25(18)21(33)13-17)22-4-5-24(40)36-27(22)41/h1-3,6,12-13,22-23H,4-5,7-11,14-15H2,(H,36,40,41)
• InChIKey: BVMJWFLQPIXXIV-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.47
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177163278) is 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(C(=O)N4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)cc(F)c3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BVMJWFLQPIXXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2F3N4O4/c31-20-3-1-2-19(26(20)32)16-6-9-37(10-7-16)23-8-11-38(15-30(23,34)35)28(42)17-12-18-14-39(29(43)25(18)21(33)13-17)22-4-5-24(40)36-27(22)41/h1-3,6,12-13,22-23H,4-5,7-11,14-15H2,(H,36,40,41).

What are the key properties of 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 635.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).