1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C180H186Cl4F8N30O23S — CID 163977206

IUPAC1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3C(=O)c3cc4ccc(C)cc4s3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cc(C(F)(F)F)ccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(F)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)c1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)c1.CC(=O)c1nn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C27H27ClN2O4.C24H26N4O3S.C23H22F3N5O3.C23H23FN4O3.C22H23N5O3.C21H23Cl2F3N4O2.C21H22ClFN2O3.C19H20N4O2/c1-18(31)20-10-11-29(14-20)27(32)30-15-21-12-26(13-22(21)16-30)33-17-19-2-6-24(7-3-19)34-25-8-4-23(28)5-9-25;1-16-4-5-18-15-21(32-20(18)14-16)22(30)27-10-3-7-24(27)8-12-26(13-9-24)23(31)28-11-6-19(25-28)17(2)29;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;1-17(29)22-9-10-28(25-22)23(30)27-13-11-26(12-14-27)16-18-3-2-4-21(15-18)31-20-7-5-19(24)6-8-20;1-17(28)20-8-10-27(24-20)22(29)26-13-11-25(12-14-26)16-18-5-4-6-19(15-18)30-21-7-2-3-9-23-21;1-13(31)19-18(23)12-30(27-19)20(32)29-7-5-14(6-8-29)10-28(2)11-15-9-16(22)3-4-17(15)21(24,25)26;1-13(26)15-2-3-24(9-15)21(27)25-10-16-6-20(7-17(16)11-25)28-12-14-4-18(22)8-19(23)5-14;1-3-16-4-6-17(7-5-16)14-21-10-12-22(13-11-21)19(25)23-9-8-18(20-23)15(2)24/h2-11,14,21-22,26H,12-13,15-17H2,1H3;4-6,11,14-15H,3,7-10,12-13H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;2-10,15H,11-14,16H2,1H3;2-10,15H,11-14,16H2,1H3;3-4,9,12,14H,5-8,10-11H2,1-2H3;2-5,8-9,16-17,20H,6-7,10-12H2,1H3;1,4-9H,10-14H2,2H3/t21-,22+,26?;;;;;;16-,17+,20?;
InChIKeySVFJCIOYSAWJQO-UUONNNDASA-N
MW3463.52 g/mol
LogP32.77
Rot. Bonds35

About 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163977206) has the molecular formula C180H186Cl4F8N30O23S and a molecular weight of 3463.52 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163977206
Molecular FormulaC180H186Cl4F8N30O23S
Molecular Weight3463.52 g/mol
Exact Mass3459.27
IUPAC Name1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3C(=O)c3cc4ccc(C)cc4s3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cc(C(F)(F)F)ccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(F)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)c1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)c1.CC(=O)c1nn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C27H27ClN2O4.C24H26N4O3S.C23H22F3N5O3.C23H23FN4O3.C22H23N5O3.C21H23Cl2F3N4O2.C21H22ClFN2O3.C19H20N4O2/c1-18(31)20-10-11-29(14-20)27(32)30-15-21-12-26(13-22(21)16-30)33-17-19-2-6-24(7-3-19)34-25-8-4-23(28)5-9-25;1-16-4-5-18-15-21(32-20(18)14-16)22(30)27-10-3-7-24(27)8-12-26(13-9-24)23(31)28-11-6-19(25-28)17(2)29;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;1-17(29)22-9-10-28(25-22)23(30)27-13-11-26(12-14-27)16-18-3-2-4-21(15-18)31-20-7-5-19(24)6-8-20;1-17(28)20-8-10-27(24-20)22(29)26-13-11-25(12-14-26)16-18-5-4-6-19(15-18)30-21-7-2-3-9-23-21;1-13(31)19-18(23)12-30(27-19)20(32)29-7-5-14(6-8-29)10-28(2)11-15-9-16(22)3-4-17(15)21(24,25)26;1-13(26)15-2-3-24(9-15)21(27)25-10-16-6-20(7-17(16)11-25)28-12-14-4-18(22)8-19(23)5-14;1-3-16-4-6-17(7-5-16)14-21-10-12-22(13-11-21)19(25)23-9-8-18(20-23)15(2)24/h2-11,14,21-22,26H,12-13,15-17H2,1H3;4-6,11,14-15H,3,7-10,12-13H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;2-10,15H,11-14,16H2,1H3;2-10,15H,11-14,16H2,1H3;3-4,9,12,14H,5-8,10-11H2,1-2H3;2-5,8-9,16-17,20H,6-7,10-12H2,1H3;1,4-9H,10-14H2,2H3/t21-,22+,26?;;;;;;16-,17+,20?;
InChIKeySVFJCIOYSAWJQO-UUONNNDASA-N
XLogP32.77
TPSA533.49 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds35
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003463.52
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

1-[1-[4-[[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(6-methyl-1-benzothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 159882300
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 160446741
CID 163428456
CID 163428456
1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163615242
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[5-chloro-2-(trifluoromethyl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2S)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163770589
CID 163932702
CID 163932702
1-[1-[4-[[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(6-methyl-1-benzothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 164062156
1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 164117317
1-[4-Chloro-1-[4-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-(trifluoromethyl)pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-(trifluoromethyl)-1-[1-[[6-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 164155878

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163977206) is 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is C#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3C(=O)c3cc4ccc(C)cc4s3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cc(C(F)(F)F)ccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(F)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)c1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)c1.CC(=O)c1nn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is SVFJCIOYSAWJQO-UUONNNDASA-N. The full InChI is InChI=1S/C27H27ClN2O4.C24H26N4O3S.C23H22F3N5O3.C23H23FN4O3.C22H23N5O3.C21H23Cl2F3N4O2.C21H22ClFN2O3.C19H20N4O2/c1-18(31)20-10-11-29(14-20)27(32)30-15-21-12-26(13-22(21)16-30)33-17-19-2-6-24(7-3-19)34-25-8-4-23(28)5-9-25;1-16-4-5-18-15-21(32-20(18)14-16)22(30)27-10-3-7-24(27)8-12-26(13-9-24)23(31)28-11-6-19(25-28)17(2)29;1-16(32)20-6-8-31(28-20)22(33)30-11-9-29(10-12-30)15-17-3-2-4-19(13-17)34-21-14-18(5-7-27-21)23(24,25)26;1-17(29)22-9-10-28(25-22)23(30)27-13-11-26(12-14-27)16-18-3-2-4-21(15-18)31-20-7-5-19(24)6-8-20;1-17(28)20-8-10-27(24-20)22(29)26-13-11-25(12-14-26)16-18-5-4-6-19(15-18)30-21-7-2-3-9-23-21;1-13(31)19-18(23)12-30(27-19)20(32)29-7-5-14(6-8-29)10-28(2)11-15-9-16(22)3-4-17(15)21(24,25)26;1-13(26)15-2-3-24(9-15)21(27)25-10-16-6-20(7-17(16)11-25)28-12-14-4-18(22)8-19(23)5-14;1-3-16-4-6-17(7-5-16)14-21-10-12-22(13-11-21)19(25)23-9-8-18(20-23)15(2)24/h2-11,14,21-22,26H,12-13,15-17H2,1H3;4-6,11,14-15H,3,7-10,12-13H2,1-2H3;2-8,13-14H,9-12,15H2,1H3;2-10,15H,11-14,16H2,1H3;2-10,15H,11-14,16H2,1H3;3-4,9,12,14H,5-8,10-11H2,1-2H3;2-5,8-9,16-17,20H,6-7,10-12H2,1H3;1,4-9H,10-14H2,2H3/t21-,22+,26?;;;;;;16-,17+,20?;.
What are the key properties of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3463.52 g/mol, XLogP of 32.77, 35 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[4-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrrol-3-yl]ethanone;1-[4-chloro-1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-ethynylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-(6-methyl-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-2-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163977206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).