4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid

C95H100F8N18O15 — CID 158511847

About 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid

4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid (PubChem CID 158511847) has the molecular formula C95H100F8N18O15 and a molecular weight of 1885.94 g/mol. Its IUPAC name is 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid.

Molecular Properties

• Compound Name: 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid
• PubChem CID: 158511847
• Molecular Formula: C95H100F8N18O15
• Molecular Weight: 1885.94 g/mol
• Exact Mass: 1884.75
• IUPAC Name: 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid
• SMILES: CC(C)(C)OC(=O)N1CC(Nc2c(C(=O)NC3CC3)cnc3cc(C(F)(F)F)c(-c4ccc(C(=O)O)c(F)c4)cc23)C1.NC1CCN(CCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.O=C1CCC(N2C(=O)c3cccc(NC4CCN(CCCNC(=O)c5ccc(-c6cc7c(NC8CNC8)c(C(=O)NC8CC8)cnc7cc6C(F)(F)F)cc5F)CC4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C45H45F4N9O6.C29H28F4N4O5.C21H27N5O4/c46-33-17-23(29-18-30-35(19-32(29)45(47,48)49)52-22-31(41(61)55-24-6-7-24)39(30)54-26-20-50-21-26)5-8-27(33)40(60)51-13-2-14-57-15-11-25(12-16-57)53-34-4-1-3-28-38(34)44(64)58(43(28)63)36-9-10-37(59)56-42(36)62;1-28(2,3)42-27(41)37-12-16(13-37)35-24-19-9-18(14-4-7-17(26(39)40)22(30)8-14)21(29(31,32)33)10-23(19)34-11-20(24)25(38)36-15-5-6-15;22-13-7-11-25(12-8-13)10-2-9-23-15-4-1-3-14-18(15)21(30)26(20(14)29)16-5-6-17(27)24-19(16)28/h1,3-5,8,17-19,22,24-26,36,50,53H,2,6-7,9-16,20-21H2,(H,51,60)(H,52,54)(H,55,61)(H,56,59,62);4,7-11,15-16H,5-6,12-13H2,1-3H3,(H,34,35)(H,36,38)(H,39,40);1,3-4,13,16,23H,2,5-12,22H2,(H,24,27,28)
• InChIKey: HLDRSHKUVHPHFY-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 439.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.94
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

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-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid?

The IUPAC name of 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid (CID 158511847) is 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid.

What is the SMILES notation for 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid?

The canonical SMILES for 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid is CC(C)(C)OC(=O)N1CC(Nc2c(C(=O)NC3CC3)cnc3cc(C(F)(F)F)c(-c4ccc(C(=O)O)c(F)c4)cc23)C1.NC1CCN(CCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.O=C1CCC(N2C(=O)c3cccc(NC4CCN(CCCNC(=O)c5ccc(-c6cc7c(NC8CNC8)c(C(=O)NC8CC8)cnc7cc6C(F)(F)F)cc5F)CC4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid?

The InChIKey is HLDRSHKUVHPHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45F4N9O6.C29H28F4N4O5.C21H27N5O4/c46-33-17-23(29-18-30-35(19-32(29)45(47,48)49)52-22-31(41(61)55-24-6-7-24)39(30)54-26-20-50-21-26)5-8-27(33)40(60)51-13-2-14-57-15-11-25(12-16-57)53-34-4-1-3-28-38(34)44(64)58(43(28)63)36-9-10-37(59)56-42(36)62;1-28(2,3)42-27(41)37-12-16(13-37)35-24-19-9-18(14-4-7-17(26(39)40)22(30)8-14)21(29(31,32)33)10-23(19)34-11-20(24)25(38)36-15-5-6-15;22-13-7-11-25(12-8-13)10-2-9-23-15-4-1-3-14-18(15)21(30)26(20(14)29)16-5-6-17(27)24-19(16)28/h1,3-5,8,17-19,22,24-26,36,50,53H,2,6-7,9-16,20-21H2,(H,51,60)(H,52,54)(H,55,61)(H,56,59,62);4,7-11,15-16H,5-6,12-13H2,1-3H3,(H,34,35)(H,36,38)(H,39,40);1,3-4,13,16,23H,2,5-12,22H2,(H,24,27,28).

What are the key properties of 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid?

4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid has a molecular weight of 1885.94 g/mol, XLogP of 10.43, 25 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 158511847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).