2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile

C187H213F7N42O50 — CID 158110531

IUPAC2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile
SMILESC#N.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)NCCOCCCCCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc3C(N)=O)co2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)CCCOCCCCCOCCN)cc4)nc3C(N)=O)co2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3C(N)=O)co2)ccn1.CF.NC(=O)c1nn(-c2ccc(C(=O)NCCOCCCCCOCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NCCOCCCCCOCCN.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C51H54F3N11O14.C46H46F3N11O12.C37H48N8O8.C27H27N7O7.C15H12N2O7.C9H22N2O2.CH3F.CHN/c1-50(2,3)79-49(74)63(28-51(52,53)54)37-24-30(16-17-56-37)46-60-34(26-78-46)44(70)59-33-25-64(62-41(33)42(55)68)31-12-10-29(11-13-31)43(69)58-19-23-76-21-6-4-5-20-75-22-18-57-39(67)27-77-36-9-7-8-32-40(36)48(73)65(47(32)72)35-14-15-38(66)61-45(35)71;47-46(48,49)25-54-34-21-27(13-14-51-34)43-56-31(23-72-43)41(65)55-30-22-59(58-38(30)39(50)63)28-9-7-26(8-10-28)40(64)53-16-20-70-18-3-1-2-17-69-19-15-52-36(62)24-71-33-6-4-5-29-37(33)45(68)60(44(29)67)32-11-12-35(61)57-42(32)66;1-5-44(36(49)53-37(2,3)4)31-22-26(15-17-40-31)35-42-29(24-52-35)34(48)41-28-23-45(43-32(28)33(39)47)27-13-11-25(12-14-27)30(46)10-9-20-50-18-7-6-8-19-51-21-16-38;1-5-33(26(39)41-27(2,3)4)20-12-16(10-11-29-20)24-31-19(14-40-24)23(36)30-18-13-34(32-21(18)22(28)35)17-8-6-15(7-9-17)25(37)38;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20;10-4-8-12-6-2-1-3-7-13-9-5-11;2*1-2/h7-13,16-17,24-26,35H,4-6,14-15,18-23,27-28H2,1-3H3,(H2,55,68)(H,57,67)(H,58,69)(H,59,70)(H,61,66,71);4-10,13-14,21-23,32H,1-3,11-12,15-20,24-25H2,(H2,50,63)(H,51,54)(H,52,62)(H,53,64)(H,55,65)(H,57,61,66);11-15,17,22-24H,5-10,16,18-21,38H2,1-4H3,(H2,39,47)(H,41,48);6-14H,5H2,1-4H3,(H2,28,35)(H,30,36)(H,37,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21);1-11H2;1H3;1H
InChIKeyFQJJDYULXOMANM-UHFFFAOYSA-N
MW3981.99 g/mol
LogP16.16
Rot. Bonds90

About 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile

2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile (PubChem CID 158110531) has the molecular formula C187H213F7N42O50 and a molecular weight of 3981.99 g/mol. Its IUPAC name is 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile.

Molecular Properties

Compound Name2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile
PubChem CID158110531
Molecular FormulaC187H213F7N42O50
Molecular Weight3981.99 g/mol
Exact Mass3979.53
IUPAC Name2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile
SMILESC#N.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)NCCOCCCCCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc3C(N)=O)co2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)CCCOCCCCCOCCN)cc4)nc3C(N)=O)co2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3C(N)=O)co2)ccn1.CF.NC(=O)c1nn(-c2ccc(C(=O)NCCOCCCCCOCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NCCOCCCCCOCCN.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C51H54F3N11O14.C46H46F3N11O12.C37H48N8O8.C27H27N7O7.C15H12N2O7.C9H22N2O2.CH3F.CHN/c1-50(2,3)79-49(74)63(28-51(52,53)54)37-24-30(16-17-56-37)46-60-34(26-78-46)44(70)59-33-25-64(62-41(33)42(55)68)31-12-10-29(11-13-31)43(69)58-19-23-76-21-6-4-5-20-75-22-18-57-39(67)27-77-36-9-7-8-32-40(36)48(73)65(47(32)72)35-14-15-38(66)61-45(35)71;47-46(48,49)25-54-34-21-27(13-14-51-34)43-56-31(23-72-43)41(65)55-30-22-59(58-38(30)39(50)63)28-9-7-26(8-10-28)40(64)53-16-20-70-18-3-1-2-17-69-19-15-52-36(62)24-71-33-6-4-5-29-37(33)45(68)60(44(29)67)32-11-12-35(61)57-42(32)66;1-5-44(36(49)53-37(2,3)4)31-22-26(15-17-40-31)35-42-29(24-52-35)34(48)41-28-23-45(43-32(28)33(39)47)27-13-11-25(12-14-27)30(46)10-9-20-50-18-7-6-8-19-51-21-16-38;1-5-33(26(39)41-27(2,3)4)20-12-16(10-11-29-20)24-31-19(14-40-24)23(36)30-18-13-34(32-21(18)22(28)35)17-8-6-15(7-9-17)25(37)38;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20;10-4-8-12-6-2-1-3-7-13-9-5-11;2*1-2/h7-13,16-17,24-26,35H,4-6,14-15,18-23,27-28H2,1-3H3,(H2,55,68)(H,57,67)(H,58,69)(H,59,70)(H,61,66,71);4-10,13-14,21-23,32H,1-3,11-12,15-20,24-25H2,(H2,50,63)(H,51,54)(H,52,62)(H,53,64)(H,55,65)(H,57,61,66);11-15,17,22-24H,5-10,16,18-21,38H2,1-4H3,(H2,39,47)(H,41,48);6-14H,5H2,1-4H3,(H2,28,35)(H,30,36)(H,37,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21);1-11H2;1H3;1H
InChIKeyFQJJDYULXOMANM-UHFFFAOYSA-N
XLogP16.16
TPSA1278.47 Ų
H-Bond Donors21
H-Bond Acceptors69
Rotatable Bonds90
Heavy Atoms286
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003981.99
LogP ≤ 516.16
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile?
The IUPAC name of 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile (CID 158110531) is 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile.
What is the SMILES notation for 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile?
The canonical SMILES for 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile is C#N.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)NCCOCCCCCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc3C(N)=O)co2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)CCCOCCCCCOCCN)cc4)nc3C(N)=O)co2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3C(N)=O)co2)ccn1.CF.NC(=O)c1nn(-c2ccc(C(=O)NCCOCCCCCOCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.NCCOCCCCCOCCN.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile?
The InChIKey is FQJJDYULXOMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54F3N11O14.C46H46F3N11O12.C37H48N8O8.C27H27N7O7.C15H12N2O7.C9H22N2O2.CH3F.CHN/c1-50(2,3)79-49(74)63(28-51(52,53)54)37-24-30(16-17-56-37)46-60-34(26-78-46)44(70)59-33-25-64(62-41(33)42(55)68)31-12-10-29(11-13-31)43(69)58-19-23-76-21-6-4-5-20-75-22-18-57-39(67)27-77-36-9-7-8-32-40(36)48(73)65(47(32)72)35-14-15-38(66)61-45(35)71;47-46(48,49)25-54-34-21-27(13-14-51-34)43-56-31(23-72-43)41(65)55-30-22-59(58-38(30)39(50)63)28-9-7-26(8-10-28)40(64)53-16-20-70-18-3-1-2-17-69-19-15-52-36(62)24-71-33-6-4-5-29-37(33)45(68)60(44(29)67)32-11-12-35(61)57-42(32)66;1-5-44(36(49)53-37(2,3)4)31-22-26(15-17-40-31)35-42-29(24-52-35)34(48)41-28-23-45(43-32(28)33(39)47)27-13-11-25(12-14-27)30(46)10-9-20-50-18-7-6-8-19-51-21-16-38;1-5-33(26(39)41-27(2,3)4)20-12-16(10-11-29-20)24-31-19(14-40-24)23(36)30-18-13-34(32-21(18)22(28)35)17-8-6-15(7-9-17)25(37)38;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20;10-4-8-12-6-2-1-3-7-13-9-5-11;2*1-2/h7-13,16-17,24-26,35H,4-6,14-15,18-23,27-28H2,1-3H3,(H2,55,68)(H,57,67)(H,58,69)(H,59,70)(H,61,66,71);4-10,13-14,21-23,32H,1-3,11-12,15-20,24-25H2,(H2,50,63)(H,51,54)(H,52,62)(H,53,64)(H,55,65)(H,57,61,66);11-15,17,22-24H,5-10,16,18-21,38H2,1-4H3,(H2,39,47)(H,41,48);6-14H,5H2,1-4H3,(H2,28,35)(H,30,36)(H,37,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21);1-11H2;1H3;1H.
What are the key properties of 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile?
2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile has a molecular weight of 3981.99 g/mol, XLogP of 16.16, 90 rotatable bonds, 21 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethoxy)pentoxy]ethanamine;tert-butyl N-[4-[4-[[1-[4-[4-[5-(2-aminoethoxy)pentoxy]butanoyl]phenyl]-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-ethylcarbamate;tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[2-[5-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]pentoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;fluoromethane;formonitrile is sourced from PubChem (CID 158110531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).