4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane

C90H89F9N20O13 — CID 159550713

About 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane

4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane (PubChem CID 159550713) has the molecular formula C90H89F9N20O13 and a molecular weight of 1830.82 g/mol. Its IUPAC name is 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane.

Molecular Properties

• Compound Name: 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
• PubChem CID: 159550713
• Molecular Formula: C90H89F9N20O13
• Molecular Weight: 1830.82 g/mol
• Exact Mass: 1829.68
• IUPAC Name: 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
• SMILES: C.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCn4cc(C5(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)c(F)c3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)O)c(F)c3)cc12.NCCCCn1cc(C2(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nn1.[2H]CF
• InChI: InChI=1S/C44H40F4N10O6.C22H17F4N3O3.C22H25N7O4.CH3F.CH4/c1-49-37-27-18-26(29(44(46,47)48)19-32(27)51-20-28(37)39(61)52-23-8-9-23)22-7-10-24(30(45)17-22)38(60)50-15-2-3-16-57-21-34(55-56-57)43(13-14-43)54-31-6-4-5-25-36(31)42(64)58(41(25)63)33-11-12-35(59)53-40(33)62;1-27-19-14-7-13(10-2-5-12(21(31)32)17(23)6-10)16(22(24,25)26)8-18(14)28-9-15(19)20(30)29-11-3-4-11;23-10-1-2-11-28-12-16(26-27-28)22(8-9-22)25-14-5-3-4-13-18(14)21(33)29(20(13)32)15-6-7-17(30)24-19(15)31;1-2;/h4-7,10,17-21,23,33,54H,2-3,8-9,11-16H2,1H3,(H,49,51)(H,50,60)(H,52,61)(H,53,59,62);2,5-9,11H,3-4H2,1H3,(H,27,28)(H,29,30)(H,31,32);3-5,12,15,25H,1-2,6-11,23H2,(H,24,30,31);1H3;1H4/i;;;1D
• InChIKey: MFIWLBLBGJLAOJ-JLMMQWLNSA-N
• XLogP: 11.73
• TPSA: 453.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.82
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

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-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane?

The IUPAC name of 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane (CID 159550713) is 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane.

What is the SMILES notation for 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane?

The canonical SMILES for 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane is C.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCn4cc(C5(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nn4)c(F)c3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)O)c(F)c3)cc12.NCCCCn1cc(C2(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nn1.[2H]CF.

What is the InChIKey of 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane?

The InChIKey is MFIWLBLBGJLAOJ-JLMMQWLNSA-N. The full InChI is InChI=1S/C44H40F4N10O6.C22H17F4N3O3.C22H25N7O4.CH3F.CH4/c1-49-37-27-18-26(29(44(46,47)48)19-32(27)51-20-28(37)39(61)52-23-8-9-23)22-7-10-24(30(45)17-22)38(60)50-15-2-3-16-57-21-34(55-56-57)43(13-14-43)54-31-6-4-5-25-36(31)42(64)58(41(25)63)33-11-12-35(59)53-40(33)62;1-27-19-14-7-13(10-2-5-12(21(31)32)17(23)6-10)16(22(24,25)26)8-18(14)28-9-15(19)20(30)29-11-3-4-11;23-10-1-2-11-28-12-16(26-27-28)22(8-9-22)25-14-5-3-4-13-18(14)21(33)29(20(13)32)15-6-7-17(30)24-19(15)31;1-2;/h4-7,10,17-21,23,33,54H,2-3,8-9,11-16H2,1H3,(H,49,51)(H,50,60)(H,52,61)(H,53,59,62);2,5-9,11H,3-4H2,1H3,(H,27,28)(H,29,30)(H,31,32);3-5,12,15,25H,1-2,6-11,23H2,(H,24,30,31);1H3;1H4/i;;;1D;.

What are the key properties of 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane?

4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane has a molecular weight of 1830.82 g/mol, XLogP of 11.73, 27 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane is sourced from PubChem (CID 159550713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).