1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C170H191Cl7F3N31O18S — CID 163946026

IUPAC1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(Cl)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4N4CCCC4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Cl)c(-c5nccs5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)cc1C
InChIInChI=1S/3C25H32ClN5O2.3C24H24ClFN4O3.C23H23ClN4O3S/c1-19(32)23-5-12-31(27-23)24(33)29-13-7-25(8-14-29)6-4-11-30(25)18-20-15-21(26)17-22(16-20)28-9-2-3-10-28;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-16-21(26)4-5-23(20)29-10-2-3-11-29;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-4-5-21(26)23(16-20)29-10-2-3-11-29;1-16-14-30(27-23(16)17(2)31)24(32)29-9-7-28(8-10-29)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-23(27-30)17(2)31)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;1-14(29)21-4-6-28(26-21)23(30)27-11-16-9-18(10-17(16)12-27)31-13-15-2-3-20(24)19(8-15)22-25-5-7-32-22/h5,12,15-17H,2-4,6-11,13-14,18H2,1H3;2*4-6,12,16H,2-3,7-11,13-15,17-18H2,1H3;3-6,11-14H,7-10,15H2,1-2H3;2*3-8,11-13,16H,9-10,14-15H2,1-2H3;2-8,16-18H,9-13H2,1H3/t;;;;2*16-;16-,17+,18?/m....10./s1
InChIKeyRVCYMSOKSWNRJI-PCNIHVDZSA-N
MW3293.83 g/mol
LogP32.24
Rot. Bonds32

About 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163946026) has the molecular formula C170H191Cl7F3N31O18S and a molecular weight of 3293.83 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163946026
Molecular FormulaC170H191Cl7F3N31O18S
Molecular Weight3293.83 g/mol
Exact Mass3288.25
IUPAC Name1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(Cl)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4N4CCCC4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Cl)c(-c5nccs5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)cc1C
InChIInChI=1S/3C25H32ClN5O2.3C24H24ClFN4O3.C23H23ClN4O3S/c1-19(32)23-5-12-31(27-23)24(33)29-13-7-25(8-14-29)6-4-11-30(25)18-20-15-21(26)17-22(16-20)28-9-2-3-10-28;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-16-21(26)4-5-23(20)29-10-2-3-11-29;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-4-5-21(26)23(16-20)29-10-2-3-11-29;1-16-14-30(27-23(16)17(2)31)24(32)29-9-7-28(8-10-29)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-23(27-30)17(2)31)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;1-14(29)21-4-6-28(26-21)23(30)27-11-16-9-18(10-17(16)12-27)31-13-15-2-3-20(24)19(8-15)22-25-5-7-32-22/h5,12,15-17H,2-4,6-11,13-14,18H2,1H3;2*4-6,12,16H,2-3,7-11,13-15,17-18H2,1H3;3-6,11-14H,7-10,15H2,1-2H3;2*3-8,11-13,16H,9-10,14-15H2,1-2H3;2-8,16-18H,9-13H2,1H3/t;;;;2*16-;16-,17+,18?/m....10./s1
InChIKeyRVCYMSOKSWNRJI-PCNIHVDZSA-N
XLogP32.24
TPSA465.37 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.83
LogP ≤ 532.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 163946026) is 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(Cl)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4N4CCCC4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Cl)c(-c5nccs5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is RVCYMSOKSWNRJI-PCNIHVDZSA-N. The full InChI is InChI=1S/3C25H32ClN5O2.3C24H24ClFN4O3.C23H23ClN4O3S/c1-19(32)23-5-12-31(27-23)24(33)29-13-7-25(8-14-29)6-4-11-30(25)18-20-15-21(26)17-22(16-20)28-9-2-3-10-28;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-16-21(26)4-5-23(20)29-10-2-3-11-29;1-19(32)22-6-12-31(27-22)24(33)30-14-8-25(9-15-30)7-13-28(18-25)17-20-4-5-21(26)23(16-20)29-10-2-3-11-29;1-16-14-30(27-23(16)17(2)31)24(32)29-9-7-28(8-10-29)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;2*1-16-14-28(9-10-29(16)24(32)30-8-7-23(27-30)17(2)31)15-18-11-20(26)13-22(12-18)33-21-5-3-19(25)4-6-21;1-14(29)21-4-6-28(26-21)23(30)27-11-16-9-18(10-17(16)12-27)31-13-15-2-3-20(24)19(8-15)22-25-5-7-32-22/h5,12,15-17H,2-4,6-11,13-14,18H2,1H3;2*4-6,12,16H,2-3,7-11,13-15,17-18H2,1H3;3-6,11-14H,7-10,15H2,1-2H3;2*3-8,11-13,16H,9-10,14-15H2,1-2H3;2-8,16-18H,9-13H2,1H3/t;;;;2*16-;16-,17+,18?/m....10./s1.
What are the key properties of 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3293.83 g/mol, XLogP of 32.24, 32 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163946026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).