[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone

C219H242F5N27O29 — CID 167566489

IUPAC[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone
SMILESC=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)N1CCCCC1.C=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)c1ccccc1OC(=O)N1CCOCC1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(CCCC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.Cc1ccc(OC2CN(C(=O)c3cc(F)ccc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.Cc1ccc(OC2CN(C(=O)c3ccc(F)cc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.O=C(O[C@H]1COC2OCCC21)N1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2)CC1
InChIInChI=1S/C38H40N4O6.C33H40N4O3.C32H38N4O3.C32H31N3O5.C30H35F3N4O6.2C27H29FN4O3/c1-27(32-8-4-6-10-34(32)48-38(44)42-22-24-45-25-23-42)46-35-11-7-5-9-33(35)37(43)41-20-18-31(19-21-41)47-36-17-14-29(26-39-36)28-12-15-30(16-13-28)40(2)3;1-35(2)28-13-8-25(9-14-28)6-5-7-30(38)17-19-33(39)37-22-20-31(21-23-37)40-32-18-12-27(24-34-32)26-10-15-29(16-11-26)36(3)4;1-24(35-19-7-4-8-20-35)38-30-10-6-5-9-29(30)32(37)36-21-17-28(18-22-36)39-31-16-13-26(23-33-31)25-11-14-27(15-12-25)34(2)3;1-34(2)24-14-11-22(12-15-24)23-13-16-30(33-21-23)39-25-17-19-35(20-18-25)31(37)27-8-4-6-10-29(27)40-32(38)26-7-3-5-9-28(26)36;31-30(32,33)22-5-6-26(34-17-22)42-23-7-10-36(11-8-23)27(38)21-3-1-20(2-4-21)18-35-12-14-37(15-13-35)29(39)43-25-19-41-28-24(25)9-16-40-28;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)23-10-7-20(28)14-24(23)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)24-14-20(28)7-10-23(24)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3/h4-17,26,31H,1,18-25H2,2-3H3;8-19,24,31H,5-7,20-23H2,1-4H3;5-6,9-16,23,28H,1,4,7-8,17-22H2,2-3H3;3-16,21,25,36H,17-20H2,1-2H3;1-6,17,23-25,28H,7-16,18-19H2;2*4-11,14-15,22H,12-13,16-17H2,1-3H3,(H,29,33)/b;19-17-;;;;;/t;;;;24?,25-,28?;;/m....0../s1
InChIKeyFISACXXLVDHXOM-BDVLEPKGSA-N
MW3811.49 g/mol
LogP33.78
Rot. Bonds57

About [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone

[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone (PubChem CID 167566489) has the molecular formula C219H242F5N27O29 and a molecular weight of 3811.49 g/mol. Its IUPAC name is [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone.

Molecular Properties

Compound Name[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone
PubChem CID167566489
Molecular FormulaC219H242F5N27O29
Molecular Weight3811.49 g/mol
Exact Mass3808.82
IUPAC Name[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone
SMILESC=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)N1CCCCC1.C=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)c1ccccc1OC(=O)N1CCOCC1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(CCCC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.Cc1ccc(OC2CN(C(=O)c3cc(F)ccc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.Cc1ccc(OC2CN(C(=O)c3ccc(F)cc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.O=C(O[C@H]1COC2OCCC21)N1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2)CC1
InChIInChI=1S/C38H40N4O6.C33H40N4O3.C32H38N4O3.C32H31N3O5.C30H35F3N4O6.2C27H29FN4O3/c1-27(32-8-4-6-10-34(32)48-38(44)42-22-24-45-25-23-42)46-35-11-7-5-9-33(35)37(43)41-20-18-31(19-21-41)47-36-17-14-29(26-39-36)28-12-15-30(16-13-28)40(2)3;1-35(2)28-13-8-25(9-14-28)6-5-7-30(38)17-19-33(39)37-22-20-31(21-23-37)40-32-18-12-27(24-34-32)26-10-15-29(16-11-26)36(3)4;1-24(35-19-7-4-8-20-35)38-30-10-6-5-9-29(30)32(37)36-21-17-28(18-22-36)39-31-16-13-26(23-33-31)25-11-14-27(15-12-25)34(2)3;1-34(2)24-14-11-22(12-15-24)23-13-16-30(33-21-23)39-25-17-19-35(20-18-25)31(37)27-8-4-6-10-29(27)40-32(38)26-7-3-5-9-28(26)36;31-30(32,33)22-5-6-26(34-17-22)42-23-7-10-36(11-8-23)27(38)21-3-1-20(2-4-21)18-35-12-14-37(15-13-35)29(39)43-25-19-41-28-24(25)9-16-40-28;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)23-10-7-20(28)14-24(23)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)24-14-20(28)7-10-23(24)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3/h4-17,26,31H,1,18-25H2,2-3H3;8-19,24,31H,5-7,20-23H2,1-4H3;5-6,9-16,23,28H,1,4,7-8,17-22H2,2-3H3;3-16,21,25,36H,17-20H2,1-2H3;1-6,17,23-25,28H,7-16,18-19H2;2*4-11,14-15,22H,12-13,16-17H2,1-3H3,(H,29,33)/b;19-17-;;;;;/t;;;;24?,25-,28?;;/m....0../s1
InChIKeyFISACXXLVDHXOM-BDVLEPKGSA-N
XLogP33.78
TPSA553.20 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003811.49
LogP ≤ 533.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
CID 167537229
(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-morpholin-4-ylethenoxy)phenyl]methanone
CID 167631813

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone?
The IUPAC name of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone (CID 167566489) is [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone.
What is the SMILES notation for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone?
The canonical SMILES for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone is C=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)N1CCCCC1.C=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)c1ccccc1OC(=O)N1CCOCC1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(CCCC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.Cc1ccc(OC2CN(C(=O)c3cc(F)ccc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.Cc1ccc(OC2CN(C(=O)c3ccc(F)cc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.O=C(O[C@H]1COC2OCCC21)N1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2)CC1.
What is the InChIKey of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone?
The InChIKey is FISACXXLVDHXOM-BDVLEPKGSA-N. The full InChI is InChI=1S/C38H40N4O6.C33H40N4O3.C32H38N4O3.C32H31N3O5.C30H35F3N4O6.2C27H29FN4O3/c1-27(32-8-4-6-10-34(32)48-38(44)42-22-24-45-25-23-42)46-35-11-7-5-9-33(35)37(43)41-20-18-31(19-21-41)47-36-17-14-29(26-39-36)28-12-15-30(16-13-28)40(2)3;1-35(2)28-13-8-25(9-14-28)6-5-7-30(38)17-19-33(39)37-22-20-31(21-23-37)40-32-18-12-27(24-34-32)26-10-15-29(16-11-26)36(3)4;1-24(35-19-7-4-8-20-35)38-30-10-6-5-9-29(30)32(37)36-21-17-28(18-22-36)39-31-16-13-26(23-33-31)25-11-14-27(15-12-25)34(2)3;1-34(2)24-14-11-22(12-15-24)23-13-16-30(33-21-23)39-25-17-19-35(20-18-25)31(37)27-8-4-6-10-29(27)40-32(38)26-7-3-5-9-28(26)36;31-30(32,33)22-5-6-26(34-17-22)42-23-7-10-36(11-8-23)27(38)21-3-1-20(2-4-21)18-35-12-14-37(15-13-35)29(39)43-25-19-41-28-24(25)9-16-40-28;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)23-10-7-20(28)14-24(23)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)24-14-20(28)7-10-23(24)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3/h4-17,26,31H,1,18-25H2,2-3H3;8-19,24,31H,5-7,20-23H2,1-4H3;5-6,9-16,23,28H,1,4,7-8,17-22H2,2-3H3;3-16,21,25,36H,17-20H2,1-2H3;1-6,17,23-25,28H,7-16,18-19H2;2*4-11,14-15,22H,12-13,16-17H2,1-3H3,(H,29,33)/b;19-17-;;;;;/t;;;;24?,25-,28?;;/m....0../s1.
What are the key properties of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone?
[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone has a molecular weight of 3811.49 g/mol, XLogP of 33.78, 57 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-[[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]methyl]piperazine-1-carboxylate;(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;[2-[1-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenoxy]ethenyl]phenyl] morpholine-4-carboxylate;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-piperidin-1-ylethenoxy)phenyl]methanone is sourced from PubChem (CID 167566489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).