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

C156H167Cl4F8N29O19 — CID 163615242

IUPAC1-[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
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCN4CCC[C@H]4C3)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)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C26H26ClN3O4.C25H31F3N6O2.C23H23FN4O3.C22H23N5O3.C21H23Cl2F3N4O2.C20H21ClFN3O3.C19H20N4O2/c1-17(31)25-10-11-30(28-25)26(32)29-14-19-12-24(13-20(19)15-29)33-16-18-2-6-22(7-3-18)34-23-8-4-21(27)5-9-23;1-18(35)22-6-8-34(29-22)24(36)32-11-9-30(10-12-32)16-19-4-5-20(25(26,27)28)15-23(19)33-14-13-31-7-2-3-21(31)17-33;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;1-12(26)19-2-3-25(23-19)20(27)24-9-14-6-18(7-15(14)10-24)28-11-13-4-16(21)8-17(22)5-13;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/h2-11,19-20,24H,12-16H2,1H3;4-6,8,15,21H,2-3,7,9-14,16-17H2,1H3;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;2-5,8,14-15,18H,6-7,9-11H2,1H3;1,4-9H,10-14H2,2H3/t19-,20+,24?;21-;;;;14-,15+,18?;/m.0...../s1
InChIKeyHJKFAOCPFFLUBB-UALDWDJWSA-N
MW3046.03 g/mol
LogP26.31
Rot. Bonds32

About 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

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 (PubChem CID 163615242) has the molecular formula C156H167Cl4F8N29O19 and a molecular weight of 3046.03 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]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.

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]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
PubChem CID163615242
Molecular FormulaC156H167Cl4F8N29O19
Molecular Weight3046.03 g/mol
Exact Mass3042.16
IUPAC Name1-[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
SMILESC#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCN4CCC[C@H]4C3)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)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C26H26ClN3O4.C25H31F3N6O2.C23H23FN4O3.C22H23N5O3.C21H23Cl2F3N4O2.C20H21ClFN3O3.C19H20N4O2/c1-17(31)25-10-11-30(28-25)26(32)29-14-19-12-24(13-20(19)15-29)33-16-18-2-6-22(7-3-18)34-23-8-4-21(27)5-9-23;1-18(35)22-6-8-34(29-22)24(36)32-11-9-30(10-12-32)16-19-4-5-20(25(26,27)28)15-23(19)33-14-13-31-7-2-3-21(31)17-33;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;1-12(26)19-2-3-25(23-19)20(27)24-9-14-6-18(7-15(14)10-24)28-11-13-4-16(21)8-17(22)5-13;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/h2-11,19-20,24H,12-16H2,1H3;4-6,8,15,21H,2-3,7,9-14,16-17H2,1H3;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;2-5,8,14-15,18H,6-7,9-11H2,1H3;1,4-9H,10-14H2,2H3/t19-,20+,24?;21-;;;;14-,15+,18?;/m.0...../s1
InChIKeyHJKFAOCPFFLUBB-UALDWDJWSA-N
XLogP26.31
TPSA468.12 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003046.03
LogP ≤ 526.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

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]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 with MolForge

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Related Compounds

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]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?
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]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) is 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.
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]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?
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]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 is C#Cc1ccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)cc1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCN4CCC[C@H]4C3)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)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.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]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?
The InChIKey is HJKFAOCPFFLUBB-UALDWDJWSA-N. The full InChI is InChI=1S/C26H26ClN3O4.C25H31F3N6O2.C23H23FN4O3.C22H23N5O3.C21H23Cl2F3N4O2.C20H21ClFN3O3.C19H20N4O2/c1-17(31)25-10-11-30(28-25)26(32)29-14-19-12-24(13-20(19)15-29)33-16-18-2-6-22(7-3-18)34-23-8-4-21(27)5-9-23;1-18(35)22-6-8-34(29-22)24(36)32-11-9-30(10-12-32)16-19-4-5-20(25(26,27)28)15-23(19)33-14-13-31-7-2-3-21(31)17-33;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;1-12(26)19-2-3-25(23-19)20(27)24-9-14-6-18(7-15(14)10-24)28-11-13-4-16(21)8-17(22)5-13;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/h2-11,19-20,24H,12-16H2,1H3;4-6,8,15,21H,2-3,7,9-14,16-17H2,1H3;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;2-5,8,14-15,18H,6-7,9-11H2,1H3;1,4-9H,10-14H2,2H3/t19-,20+,24?;21-;;;;14-,15+,18?;/m.0...../s1.
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]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?
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 has a molecular weight of 3046.03 g/mol, XLogP of 26.31, 32 rotatable bonds, 0 hydrogen bond donors, and 41 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]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 is sourced from PubChem (CID 163615242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).