[(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

C190H203F7N24O29 — CID 167537229

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;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
SMILESC=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)c1ccccc1OC(=O)N1CCOCC1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.Cc1ccc(N)c(C(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)C3CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.O=C(O[C@H]1COC2OCCC21)N1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2)CC1.O=C=O.O=C=O
InChIInChI=1S/C41H41FN4O4.C38H40N4O6.C33H34FN5O3.C30H35F3N4O6.C24H29FN4O3.C22H24FN3O3.2CO2/c1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)37-18-15-33(42)26-38(37)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-27(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;1-21-4-11-29(35)27(18-21)32(40)37-30-12-8-24(34)19-28(30)33(41)39-16-14-26(15-17-39)42-31-13-7-23(20-36-31)22-5-9-25(10-6-22)38(2)3;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;1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29;1-14-2-7-20(24-13-14)29-17-8-10-26(11-9-17)22(28)18-12-16(23)5-6-19(18)25-21(27)15-3-4-15;2*2-1-3/h3-19,26-27,36H,20-25,28H2,1-2H3,(H,43,47);4-17,26,31H,1,18-25H2,2-3H3;4-13,18-20,26H,14-17,35H2,1-3H3,(H,37,40);1-6,17,23-25,28H,7-16,18-19H2;5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31);2,5-7,12-13,15,17H,3-4,8-11H2,1H3,(H,25,27);;/t;;;24?,25-,28?;;;;/m...0..../s1
InChIKeyASBYOEUMQSJKER-YWTSORKJSA-N
MW3419.84 g/mol
LogP29.77
Rot. Bonds43

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;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

[(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 (PubChem CID 167537229) has the molecular formula C190H203F7N24O29 and a molecular weight of 3419.84 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;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.

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;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
PubChem CID167537229
Molecular FormulaC190H203F7N24O29
Molecular Weight3419.84 g/mol
Exact Mass3417.50
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;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
SMILESC=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)c1ccccc1OC(=O)N1CCOCC1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.Cc1ccc(N)c(C(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)C3CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.O=C(O[C@H]1COC2OCCC21)N1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2)CC1.O=C=O.O=C=O
InChIInChI=1S/C41H41FN4O4.C38H40N4O6.C33H34FN5O3.C30H35F3N4O6.C24H29FN4O3.C22H24FN3O3.2CO2/c1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)37-18-15-33(42)26-38(37)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-27(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;1-21-4-11-29(35)27(18-21)32(40)37-30-12-8-24(34)19-28(30)33(41)39-16-14-26(15-17-39)42-31-13-7-23(20-36-31)22-5-9-25(10-6-22)38(2)3;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;1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29;1-14-2-7-20(24-13-14)29-17-8-10-26(11-9-17)22(28)18-12-16(23)5-6-19(18)25-21(27)15-3-4-15;2*2-1-3/h3-19,26-27,36H,20-25,28H2,1-2H3,(H,43,47);4-17,26,31H,1,18-25H2,2-3H3;4-13,18-20,26H,14-17,35H2,1-3H3,(H,37,40);1-6,17,23-25,28H,7-16,18-19H2;5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31);2,5-7,12-13,15,17H,3-4,8-11H2,1H3,(H,25,27);;/t;;;24?,25-,28?;;;;/m...0..../s1
InChIKeyASBYOEUMQSJKER-YWTSORKJSA-N
XLogP29.77
TPSA586.71 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds43
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003419.84
LogP ≤ 529.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

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': 'aniline', '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;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 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;(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
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]propanamide;bis(3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide);bis(3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide)
CID 167636858
CID 167625439
CID 167625439

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;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?
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;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) 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;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.
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;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?
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;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 is C=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)c1ccccc1OC(=O)N1CCOCC1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.Cc1ccc(N)c(C(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)C3CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.O=C(O[C@H]1COC2OCCC21)N1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2)CC1.O=C=O.O=C=O.
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;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?
The InChIKey is ASBYOEUMQSJKER-YWTSORKJSA-N. The full InChI is InChI=1S/C41H41FN4O4.C38H40N4O6.C33H34FN5O3.C30H35F3N4O6.C24H29FN4O3.C22H24FN3O3.2CO2/c1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)37-18-15-33(42)26-38(37)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-27(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;1-21-4-11-29(35)27(18-21)32(40)37-30-12-8-24(34)19-28(30)33(41)39-16-14-26(15-17-39)42-31-13-7-23(20-36-31)22-5-9-25(10-6-22)38(2)3;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;1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29;1-14-2-7-20(24-13-14)29-17-8-10-26(11-9-17)22(28)18-12-16(23)5-6-19(18)25-21(27)15-3-4-15;2*2-1-3/h3-19,26-27,36H,20-25,28H2,1-2H3,(H,43,47);4-17,26,31H,1,18-25H2,2-3H3;4-13,18-20,26H,14-17,35H2,1-3H3,(H,37,40);1-6,17,23-25,28H,7-16,18-19H2;5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31);2,5-7,12-13,15,17H,3-4,8-11H2,1H3,(H,25,27);;/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;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?
[(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 has a molecular weight of 3419.84 g/mol, XLogP of 29.77, 43 rotatable bonds, 5 hydrogen bond donors, and 40 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;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 is sourced from PubChem (CID 167537229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).