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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide

C178H192F18N26O18 — CID 167544801

IUPACN-[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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/2C33H40FN5O3.4C28H28F4N4O3/c1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-12-9-25(34)22-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-22-25(34)9-12-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;2*1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;2*1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32/h2*6-7,9-12,14,17,22-23,28H,3-5,8,13,15-16,18-21H2,1-2H3,(H,36,40);4*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37)/t;;4*22-/m..1010/s1
InChIKeyBQOBJZREBIFKNH-NMDQTKDASA-N
MW3325.62 g/mol
LogP29.35
Rot. Bonds50

About 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide

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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide (PubChem CID 167544801) has the molecular formula C178H192F18N26O18 and a molecular weight of 3325.62 g/mol. Its IUPAC name is 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide
PubChem CID167544801
Molecular FormulaC178H192F18N26O18
Molecular Weight3325.62 g/mol
Exact Mass3323.46
IUPAC NameN-[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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/2C33H40FN5O3.4C28H28F4N4O3/c1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-12-9-25(34)22-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-22-25(34)9-12-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;2*1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;2*1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32/h2*6-7,9-12,14,17,22-23,28H,3-5,8,13,15-16,18-21H2,1-2H3,(H,36,40);4*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37)/t;;4*22-/m..1010/s1
InChIKeyBQOBJZREBIFKNH-NMDQTKDASA-N
XLogP29.35
TPSA455.10 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds50
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003325.62
LogP ≤ 529.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide with MolForge

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Related Compounds

(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158611555
[4-[5-cyclopentyl-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone;[4-[5-(4,4-difluorocyclohexyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone;[4-[5-(4,4-dimethylcyclohexyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone
CID 160612756
[4-[5-(4-ethylcyclohexyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone;[4-[5-(4-methylcyclohexyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone;(3-methyl-5-piperazin-1-ylphenyl)-[4-[6-[(3S)-pyrrolidin-3-yl]oxy-5-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 161010774
bis(carbon dioxide);N-[4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]phenyl]propanamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(propanoylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167566170
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167578254
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167614039
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
benzyl 2-[4-[[5-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-3-methylbutanoate;N-cyclopentyl-4-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanamide;1-(4-methylphenyl)-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butane-1,4-dione;1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 167647346
N-[(3S)-3-cyclohexyl-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S,3R)-3-cyclohexyloxy-1-[2-fluoro-4-[(2R,3S)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-(4,4-dimethylcyclohexyl)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 167667297
4-(2-aminoethyl)-N,N-dimethylaniline;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;5-fluoro-2-benzofuran-1,3-dione;fluoromethane;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine;2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzoic acid
CID 167670526
7-[6-[3-[3-[3-(Azetidin-3-yloxy)-2,2-difluoropropoxy]propoxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;5-[3-[2,2-difluoro-3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 167695296
5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 167710536

Frequently Asked Questions

What is the IUPAC name of 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide (CID 167544801) is 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide is CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3cc(N4CCCCC4)ccn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.
What is the InChIKey of 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is BQOBJZREBIFKNH-NMDQTKDASA-N. The full InChI is InChI=1S/2C33H40FN5O3.4C28H28F4N4O3/c1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-12-9-25(34)22-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;1-37(2)26-10-6-24(7-11-26)8-13-31(40)36-30-22-25(34)9-12-29(30)33(41)39-20-15-28(16-21-39)42-32-23-27(14-17-35-32)38-18-4-3-5-19-38;2*1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;2*1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32/h2*6-7,9-12,14,17,22-23,28H,3-5,8,13,15-16,18-21H2,1-2H3,(H,36,40);4*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37)/t;;4*22-/m..1010/s1.
What are the key properties of 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide?
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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 3325.62 g/mol, XLogP of 29.35, 50 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-4-fluoro-2-[(3S)-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;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;3-[4-(dimethylamino)phenyl]-N-[4-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[5-fluoro-2-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 167544801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).