8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide

C47H49F3N10O3 — CID 176559295

About 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide

8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide (PubChem CID 176559295) has the molecular formula C47H49F3N10O3 and a molecular weight of 858.97 g/mol. Its IUPAC name is 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide.

Molecular Properties

• Compound Name: 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide
• PubChem CID: 176559295
• Molecular Formula: C47H49F3N10O3
• Molecular Weight: 858.97 g/mol
• Exact Mass: 858.39
• IUPAC Name: 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide
• SMILES: Cc1ccc(CN2CCC3(CN(Cc4ccc(-c5cccc6c5CCN6c5nn6c(C(=O)N[C@@H]7C[C@@H]7F)cnc6c6c5CCCN6)nc4)C3)C(F)(F)C2)cc1C1CCC(=O)NC1=O
• InChI: InChI=1S/C47H49F3N10O3/c1-27-7-8-28(18-34(27)32-10-12-40(61)55-44(32)62)22-57-17-14-46(47(49,50)26-57)24-58(25-46)23-29-9-11-36(52-20-29)30-4-2-6-38-31(30)13-16-59(38)42-33-5-3-15-51-41(33)43-53-21-39(60(43)56-42)45(63)54-37-19-35(37)48/h2,4,6-9,11,18,20-21,32,35,37,51H,3,5,10,12-17,19,22-26H2,1H3,(H,54,63)(H,55,61,62)/t32?,35-,37+/m0/s1
• InChIKey: JDNOCRUGUQJNRK-MQBQZPMTSA-N
• XLogP: 5.86
• TPSA: 140.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	858.97
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide?

The IUPAC name of 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide (CID 176559295) is 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide.

What is the SMILES notation for 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide?

The canonical SMILES for 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide is Cc1ccc(CN2CCC3(CN(Cc4ccc(-c5cccc6c5CCN6c5nn6c(C(=O)N[C@@H]7C[C@@H]7F)cnc6c6c5CCCN6)nc4)C3)C(F)(F)C2)cc1C1CCC(=O)NC1=O.

What is the InChIKey of 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide?

The InChIKey is JDNOCRUGUQJNRK-MQBQZPMTSA-N. The full InChI is InChI=1S/C47H49F3N10O3/c1-27-7-8-28(18-34(27)32-10-12-40(61)55-44(32)62)22-57-17-14-46(47(49,50)26-57)24-58(25-46)23-29-9-11-36(52-20-29)30-4-2-6-38-31(30)13-16-59(38)42-33-5-3-15-51-41(33)43-53-21-39(60(43)56-42)45(63)54-37-19-35(37)48/h2,4,6-9,11,18,20-21,32,35,37,51H,3,5,10,12-17,19,22-26H2,1H3,(H,54,63)(H,55,61,62)/t32?,35-,37+/m0/s1.

What are the key properties of 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide?

8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide has a molecular weight of 858.97 g/mol, XLogP of 5.86, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[5-[[7-[[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-5-carboxamide is sourced from PubChem (CID 176559295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).