4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane

C93H99F9N18O13 — CID 158849711

About 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane

4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane (PubChem CID 158849711) has the molecular formula C93H99F9N18O13 and a molecular weight of 1848.92 g/mol. Its IUPAC name is 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane.

Molecular Properties

• Compound Name: 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane
• PubChem CID: 158849711
• Molecular Formula: C93H99F9N18O13
• Molecular Weight: 1848.92 g/mol
• Exact Mass: 1847.76
• IUPAC Name: 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane
• SMILES: CN1CC(NC(=O)c2cnc3cc(C(F)(F)F)c(-c4ccc(C(=O)NCCCN5CCC(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)c(F)c4)cc3c2NC2CC2)C1.CN1CC(NC(=O)c2cnc3cc(C(F)(F)F)c(-c4ccc(C(=O)O)c(F)c4)cc3c2NC2CC2)C1.NCCCN1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.[2H]CF
• InChI: InChI=1S/C46H47F4N9O6.C25H22F4N4O3.C21H27N5O4.CH3F/c1-57-22-27(23-57)55-42(62)32-21-52-36-20-33(46(48,49)50)30(19-31(36)40(32)54-25-7-8-25)24-6-9-28(34(47)18-24)41(61)51-14-3-15-58-16-12-26(13-17-58)53-35-5-2-4-29-39(35)45(65)59(44(29)64)37-10-11-38(60)56-43(37)63;1-33-10-14(11-33)32-23(34)18-9-30-21-8-19(25(27,28)29)16(7-17(21)22(18)31-13-3-4-13)12-2-5-15(24(35)36)20(26)6-12;22-9-2-10-25-11-7-13(8-12-25)23-15-4-1-3-14-18(15)21(30)26(20(14)29)16-5-6-17(27)24-19(16)28;1-2/h2,4-6,9,18-21,25-27,37,53H,3,7-8,10-17,22-23H2,1H3,(H,51,61)(H,52,54)(H,55,62)(H,56,60,63);2,5-9,13-14H,3-4,10-11H2,1H3,(H,30,31)(H,32,34)(H,35,36);1,3-4,13,16,23H,2,5-12,22H2,(H,24,27,28);1H3/i;;;1D
• InChIKey: IZHFQPZFSJTLAW-PBJKEDEQSA-N
• XLogP: 10.05
• TPSA: 404.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1848.92
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane?

The IUPAC name of 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane (CID 158849711) is 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane.

What is the SMILES notation for 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane?

The canonical SMILES for 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane is CN1CC(NC(=O)c2cnc3cc(C(F)(F)F)c(-c4ccc(C(=O)NCCCN5CCC(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)c(F)c4)cc3c2NC2CC2)C1.CN1CC(NC(=O)c2cnc3cc(C(F)(F)F)c(-c4ccc(C(=O)O)c(F)c4)cc3c2NC2CC2)C1.NCCCN1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.[2H]CF.

What is the InChIKey of 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane?

The InChIKey is IZHFQPZFSJTLAW-PBJKEDEQSA-N. The full InChI is InChI=1S/C46H47F4N9O6.C25H22F4N4O3.C21H27N5O4.CH3F/c1-57-22-27(23-57)55-42(62)32-21-52-36-20-33(46(48,49)50)30(19-31(36)40(32)54-25-7-8-25)24-6-9-28(34(47)18-24)41(61)51-14-3-15-58-16-12-26(13-17-58)53-35-5-2-4-29-39(35)45(65)59(44(29)64)37-10-11-38(60)56-43(37)63;1-33-10-14(11-33)32-23(34)18-9-30-21-8-19(25(27,28)29)16(7-17(21)22(18)31-13-3-4-13)12-2-5-15(24(35)36)20(26)6-12;22-9-2-10-25-11-7-13(8-12-25)23-15-4-1-3-14-18(15)21(30)26(20(14)29)16-5-6-17(27)24-19(16)28;1-2/h2,4-6,9,18-21,25-27,37,53H,3,7-8,10-17,22-23H2,1H3,(H,51,61)(H,52,54)(H,55,62)(H,56,60,63);2,5-9,13-14H,3-4,10-11H2,1H3,(H,30,31)(H,32,34)(H,35,36);1,3-4,13,16,23H,2,5-12,22H2,(H,24,27,28);1H3/i;;;1D.

What are the key properties of 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane?

4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane has a molecular weight of 1848.92 g/mol, XLogP of 10.05, 25 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane is sourced from PubChem (CID 158849711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).