1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C165H187Cl5N24O18 — CID 163496558

IUPAC1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)C2CCC3(CC2)CCN(Cc2cc(Cl)ccc2Cl)C3)n1.CC(=O)c1ccn(C(=O)C2CCC3(CC2)CCN(Cc2cccc(Cl)c2Cl)C3)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4)C3)CC2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4ccccc4-c4ccccc4)C[C@H]3C2)cc1C.COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2ccc(C(C)=O)n2)[C@@H](C)C1.COc1ccc(Cl)cc1CN1CCC2(CCN(C(=O)n3ccc(C(C)=O)n3)CC2)C1
InChIInChI=1S/2C26H27N3O3.C25H28N4O3.2C22H25Cl2N3O2.C22H27ClN4O3.C22H28N4O2/c1-17-14-29(27-25(17)18(2)30)26(31)28-15-20-12-22(13-21(20)16-28)32-24-11-7-6-10-23(24)19-8-4-3-5-9-19;1-17-14-29(27-25(17)18(2)30)26(31)28-15-21-12-24(13-22(21)16-28)32-23-10-6-9-20(11-23)19-7-4-3-5-8-19;1-18-16-27(13-14-28(18)25(31)29-12-11-23(26-29)19(2)30)17-22-10-9-21(15-24(22)32-3)20-7-5-4-6-8-20;1-15(28)20-6-10-27(25-20)21(29)16-4-7-22(8-5-16)9-11-26(14-22)13-17-12-18(23)2-3-19(17)24;1-15(28)19-7-11-27(25-19)21(29)16-5-8-22(9-6-16)10-12-26(14-22)13-17-3-2-4-18(23)20(17)24;1-16(28)19-5-9-27(24-19)21(29)26-11-7-22(8-12-26)6-10-25(15-22)14-17-13-18(23)3-4-20(17)30-2;1-17-4-3-5-19(14-17)15-24-11-7-22(16-24)8-12-25(13-9-22)21(28)26-10-6-20(23-26)18(2)27/h3-11,14,20-22H,12-13,15-16H2,1-2H3;3-11,14,21-22,24H,12-13,15-16H2,1-2H3;4-12,15,18H,13-14,16-17H2,1-3H3;2-3,6,10,12,16H,4-5,7-9,11,13-14H2,1H3;2-4,7,11,16H,5-6,8-10,12-14H2,1H3;3-5,9,13H,6-8,10-12,14-15H2,1-2H3;3-6,10,14H,7-9,11-13,15-16H2,1-2H3/t20-,21+,22?;21-,22+,24?;18-;;;;/m..0..../s1
InChIKeyCRFOGBKMWHRKQL-OQYSXSTPSA-N
MW2971.73 g/mol
LogP30.86
Rot. Bonds28

About 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163496558) has the molecular formula C165H187Cl5N24O18 and a molecular weight of 2971.73 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163496558
Molecular FormulaC165H187Cl5N24O18
Molecular Weight2971.73 g/mol
Exact Mass2967.29
IUPAC Name1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)C2CCC3(CC2)CCN(Cc2cc(Cl)ccc2Cl)C3)n1.CC(=O)c1ccn(C(=O)C2CCC3(CC2)CCN(Cc2cccc(Cl)c2Cl)C3)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4)C3)CC2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4ccccc4-c4ccccc4)C[C@H]3C2)cc1C.COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2ccc(C(C)=O)n2)[C@@H](C)C1.COc1ccc(Cl)cc1CN1CCC2(CCN(C(=O)n3ccc(C(C)=O)n3)CC2)C1
InChIInChI=1S/2C26H27N3O3.C25H28N4O3.2C22H25Cl2N3O2.C22H27ClN4O3.C22H28N4O2/c1-17-14-29(27-25(17)18(2)30)26(31)28-15-20-12-22(13-21(20)16-28)32-24-11-7-6-10-23(24)19-8-4-3-5-9-19;1-17-14-29(27-25(17)18(2)30)26(31)28-15-21-12-24(13-22(21)16-28)32-23-10-6-9-20(11-23)19-7-4-3-5-8-19;1-18-16-27(13-14-28(18)25(31)29-12-11-23(26-29)19(2)30)17-22-10-9-21(15-24(22)32-3)20-7-5-4-6-8-20;1-15(28)20-6-10-27(25-20)21(29)16-4-7-22(8-5-16)9-11-26(14-22)13-17-12-18(23)2-3-19(17)24;1-15(28)19-7-11-27(25-19)21(29)16-5-8-22(9-6-16)10-12-26(14-22)13-17-3-2-4-18(23)20(17)24;1-16(28)19-5-9-27(24-19)21(29)26-11-7-22(8-12-26)6-10-25(15-22)14-17-13-18(23)3-4-20(17)30-2;1-17-4-3-5-19(14-17)15-24-11-7-22(16-24)8-12-25(13-9-22)21(28)26-10-6-20(23-26)18(2)27/h3-11,14,20-22H,12-13,15-16H2,1-2H3;3-11,14,21-22,24H,12-13,15-16H2,1-2H3;4-12,15,18H,13-14,16-17H2,1-3H3;2-3,6,10,12,16H,4-5,7-9,11,13-14H2,1H3;2-4,7,11,16H,5-6,8-10,12-14H2,1H3;3-5,9,13H,6-8,10-12,14-15H2,1-2H3;3-6,10,14H,7-9,11-13,15-16H2,1-2H3/t20-,21+,22?;21-,22+,24?;18-;;;;/m..0..../s1
InChIKeyCRFOGBKMWHRKQL-OQYSXSTPSA-N
XLogP30.86
TPSA433.04 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002971.73
LogP ≤ 530.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)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-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 163496558) is 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)C2CCC3(CC2)CCN(Cc2cc(Cl)ccc2Cl)C3)n1.CC(=O)c1ccn(C(=O)C2CCC3(CC2)CCN(Cc2cccc(Cl)c2Cl)C3)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4)C3)CC2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4ccccc4-c4ccccc4)C[C@H]3C2)cc1C.COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2ccc(C(C)=O)n2)[C@@H](C)C1.COc1ccc(Cl)cc1CN1CCC2(CCN(C(=O)n3ccc(C(C)=O)n3)CC2)C1.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is CRFOGBKMWHRKQL-OQYSXSTPSA-N. The full InChI is InChI=1S/2C26H27N3O3.C25H28N4O3.2C22H25Cl2N3O2.C22H27ClN4O3.C22H28N4O2/c1-17-14-29(27-25(17)18(2)30)26(31)28-15-20-12-22(13-21(20)16-28)32-24-11-7-6-10-23(24)19-8-4-3-5-9-19;1-17-14-29(27-25(17)18(2)30)26(31)28-15-21-12-24(13-22(21)16-28)32-23-10-6-9-20(11-23)19-7-4-3-5-8-19;1-18-16-27(13-14-28(18)25(31)29-12-11-23(26-29)19(2)30)17-22-10-9-21(15-24(22)32-3)20-7-5-4-6-8-20;1-15(28)20-6-10-27(25-20)21(29)16-4-7-22(8-5-16)9-11-26(14-22)13-17-12-18(23)2-3-19(17)24;1-15(28)19-7-11-27(25-19)21(29)16-5-8-22(9-6-16)10-12-26(14-22)13-17-3-2-4-18(23)20(17)24;1-16(28)19-5-9-27(24-19)21(29)26-11-7-22(8-12-26)6-10-25(15-22)14-17-13-18(23)3-4-20(17)30-2;1-17-4-3-5-19(14-17)15-24-11-7-22(16-24)8-12-25(13-9-22)21(28)26-10-6-20(23-26)18(2)27/h3-11,14,20-22H,12-13,15-16H2,1-2H3;3-11,14,21-22,24H,12-13,15-16H2,1-2H3;4-12,15,18H,13-14,16-17H2,1-3H3;2-3,6,10,12,16H,4-5,7-9,11,13-14H2,1H3;2-4,7,11,16H,5-6,8-10,12-14H2,1H3;3-5,9,13H,6-8,10-12,14-15H2,1-2H3;3-6,10,14H,7-9,11-13,15-16H2,1-2H3/t20-,21+,22?;21-,22+,24?;18-;;;;/m..0..../s1.
What are the key properties of 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2971.73 g/mol, XLogP of 30.86, 28 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,5-dichlorophenyl)methyl]-2-azaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[(2-methoxy-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163496558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).