1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C50H58F2N6O5 — CID 170727641

About 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 170727641) has the molecular formula C50H58F2N6O5 and a molecular weight of 861.05 g/mol. Its IUPAC name is 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 170727641
• Molecular Formula: C50H58F2N6O5
• Molecular Weight: 861.05 g/mol
• Exact Mass: 860.44
• IUPAC Name: 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: CCC(F)F.CCc1cc(C2CCC(C(=O)N3CCC(N4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)ncc1C1C[C@H](C)Cc2c1[nH]c1ccccc21
• InChI: InChI=1S/C47H52N6O5.C3H6F2/c1-3-27-22-40(48-23-38(27)35-19-26(2)18-34-33-6-4-5-7-39(33)49-43(34)35)28-8-10-29(11-9-28)45(56)51-16-14-32(15-17-51)52-24-30-20-36-37(21-31(30)25-52)47(58)53(46(36)57)41-12-13-42(54)50-44(41)55;1-2-3(4)5/h4-7,20-23,26,28-29,32,35,41,49H,3,8-19,24-25H2,1-2H3,(H,50,54,55);3H,2H2,1H3/t26-,28?,29?,35?,41?;/m1./s1
• InChIKey: CYGNKCYHTYWHAW-DNULVAKRSA-N
• XLogP: 8.18
• TPSA: 135.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.05
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 170727641) is 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is CCC(F)F.CCc1cc(C2CCC(C(=O)N3CCC(N4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)ncc1C1C[C@H](C)Cc2c1[nH]c1ccccc21.

What is the InChIKey of 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is CYGNKCYHTYWHAW-DNULVAKRSA-N. The full InChI is InChI=1S/C47H52N6O5.C3H6F2/c1-3-27-22-40(48-23-38(27)35-19-26(2)18-34-33-6-4-5-7-39(33)49-43(34)35)28-8-10-29(11-9-28)45(56)51-16-14-32(15-17-51)52-24-30-20-36-37(21-31(30)25-52)47(58)53(46(36)57)41-12-13-42(54)50-44(41)55;1-2-3(4)5/h4-7,20-23,26,28-29,32,35,41,49H,3,8-19,24-25H2,1-2H3,(H,50,54,55);3H,2H2,1H3/t26-,28?,29?,35?,41?;/m1./s1.

What are the key properties of 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 861.05 g/mol, XLogP of 8.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoropropane;2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[4-ethyl-5-[(3S)-3-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinyl]cyclohexanecarbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 170727641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).