[7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C194H244Cl6N40O13 — CID 157463381

IUPAC[7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCc1cccc(CN2CC3CN(C(=O)n4cc(C)cn4)CC3C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCCC5)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4Cl)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccccc5)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@]3(CCN(Cc4cccc(Cl)c4)C3)C2)c1
InChIInChI=1S/C25H28N4O2.C24H33N5O2.C23H30ClN5O2.C23H31N5O2.C23H31N5O.2C19H22Cl2N4O.C19H23ClN4O.C19H24N4O/c1-20-15-26-29(16-20)24(30)28-13-11-25(19-28)10-12-27(18-25)17-21-6-5-9-23(14-21)31-22-7-3-2-4-8-22;1-19-14-25-29(15-19)23(30)28-8-6-24(18-28)5-7-26(17-24)16-21-3-4-22(13-20(21)2)27-9-11-31-12-10-27;1-18-13-25-29(14-18)22(30)28-7-5-23(17-28)4-6-26(16-23)15-19-2-3-20(12-21(19)24)27-8-10-31-11-9-27;1-19-14-24-28(15-19)22(29)27-9-7-23(18-27)6-8-25(17-23)16-20-2-4-21(5-3-20)26-10-12-30-13-11-26;1-19-14-24-28(15-19)22(29)27-13-9-23(18-27)8-12-25(17-23)16-20-4-6-21(7-5-20)26-10-2-3-11-26;2*1-14-9-22-25(10-14)18(26)24-7-5-19(13-24)4-6-23(12-19)11-15-2-3-16(20)17(21)8-15;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16;1-14-4-3-5-16(6-14)9-21-10-17-12-22(13-18(17)11-21)19(24)23-8-15(2)7-20-23/h2-9,14-16H,10-13,17-19H2,1H3;3-4,13-15H,5-12,16-18H2,1-2H3;2-3,12-14H,4-11,15-17H2,1H3;2-5,14-15H,6-13,16-18H2,1H3;4-7,14-15H,2-3,8-13,16-18H2,1H3;2*2-3,8-10H,4-7,11-13H2,1H3;2-4,9-11H,5-8,12-14H2,1H3;3-8,17-18H,9-13H2,1-2H3/t;;;;;3*19-;/m.....100./s1
InChIKeyBUEOXMCHTCVZOV-IQCVSDLKSA-N
MW3557.07 g/mol
LogP30.72
Rot. Bonds24

About [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

[7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 157463381) has the molecular formula C194H244Cl6N40O13 and a molecular weight of 3557.07 g/mol. Its IUPAC name is [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name[7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID157463381
Molecular FormulaC194H244Cl6N40O13
Molecular Weight3557.07 g/mol
Exact Mass3551.78
IUPAC Name[7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCc1cccc(CN2CC3CN(C(=O)n4cc(C)cn4)CC3C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCCC5)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4Cl)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccccc5)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@]3(CCN(Cc4cccc(Cl)c4)C3)C2)c1
InChIInChI=1S/C25H28N4O2.C24H33N5O2.C23H30ClN5O2.C23H31N5O2.C23H31N5O.2C19H22Cl2N4O.C19H23ClN4O.C19H24N4O/c1-20-15-26-29(16-20)24(30)28-13-11-25(19-28)10-12-27(18-25)17-21-6-5-9-23(14-21)31-22-7-3-2-4-8-22;1-19-14-25-29(15-19)23(30)28-8-6-24(18-28)5-7-26(17-24)16-21-3-4-22(13-20(21)2)27-9-11-31-12-10-27;1-18-13-25-29(14-18)22(30)28-7-5-23(17-28)4-6-26(16-23)15-19-2-3-20(12-21(19)24)27-8-10-31-11-9-27;1-19-14-24-28(15-19)22(29)27-9-7-23(18-27)6-8-25(17-23)16-20-2-4-21(5-3-20)26-10-12-30-13-11-26;1-19-14-24-28(15-19)22(29)27-13-9-23(18-27)8-12-25(17-23)16-20-4-6-21(7-5-20)26-10-2-3-11-26;2*1-14-9-22-25(10-14)18(26)24-7-5-19(13-24)4-6-23(12-19)11-15-2-3-16(20)17(21)8-15;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16;1-14-4-3-5-16(6-14)9-21-10-17-12-22(13-18(17)11-21)19(24)23-8-15(2)7-20-23/h2-9,14-16H,10-13,17-19H2,1H3;3-4,13-15H,5-12,16-18H2,1-2H3;2-3,12-14H,4-11,15-17H2,1H3;2-5,14-15H,6-13,16-18H2,1H3;4-7,14-15H,2-3,8-13,16-18H2,1H3;2*2-3,8-10H,4-7,11-13H2,1H3;2-4,9-11H,5-8,12-14H2,1H3;3-8,17-18H,9-13H2,1-2H3/t;;;;;3*19-;/m.....100./s1
InChIKeyBUEOXMCHTCVZOV-IQCVSDLKSA-N
XLogP30.72
TPSA422.21 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms253
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003557.07
LogP ≤ 530.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 157463381) is [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is Cc1cccc(CN2CC3CN(C(=O)n4cc(C)cn4)CC3C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCCC5)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4C)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(N5CCOCC5)cc4Cl)C3)C2)c1.Cc1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccccc5)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.Cc1cnn(C(=O)N2CC[C@]3(CCN(Cc4cccc(Cl)c4)C3)C2)c1.
What is the InChIKey of [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is BUEOXMCHTCVZOV-IQCVSDLKSA-N. The full InChI is InChI=1S/C25H28N4O2.C24H33N5O2.C23H30ClN5O2.C23H31N5O2.C23H31N5O.2C19H22Cl2N4O.C19H23ClN4O.C19H24N4O/c1-20-15-26-29(16-20)24(30)28-13-11-25(19-28)10-12-27(18-25)17-21-6-5-9-23(14-21)31-22-7-3-2-4-8-22;1-19-14-25-29(15-19)23(30)28-8-6-24(18-28)5-7-26(17-24)16-21-3-4-22(13-20(21)2)27-9-11-31-12-10-27;1-18-13-25-29(14-18)22(30)28-7-5-23(17-28)4-6-26(16-23)15-19-2-3-20(12-21(19)24)27-8-10-31-11-9-27;1-19-14-24-28(15-19)22(29)27-9-7-23(18-27)6-8-25(17-23)16-20-2-4-21(5-3-20)26-10-12-30-13-11-26;1-19-14-24-28(15-19)22(29)27-13-9-23(18-27)8-12-25(17-23)16-20-4-6-21(7-5-20)26-10-2-3-11-26;2*1-14-9-22-25(10-14)18(26)24-7-5-19(13-24)4-6-23(12-19)11-15-2-3-16(20)17(21)8-15;1-15-10-21-24(11-15)18(25)23-8-6-19(14-23)5-7-22(13-19)12-16-3-2-4-17(20)9-16;1-14-4-3-5-16(6-14)9-21-10-17-12-22(13-18(17)11-21)19(24)23-8-15(2)7-20-23/h2-9,14-16H,10-13,17-19H2,1H3;3-4,13-15H,5-12,16-18H2,1-2H3;2-3,12-14H,4-11,15-17H2,1H3;2-5,14-15H,6-13,16-18H2,1H3;4-7,14-15H,2-3,8-13,16-18H2,1H3;2*2-3,8-10H,4-7,11-13H2,1H3;2-4,9-11H,5-8,12-14H2,1H3;3-8,17-18H,9-13H2,1-2H3/t;;;;;3*19-;/m.....100./s1.
What are the key properties of [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
[7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 3557.07 g/mol, XLogP of 30.72, 24 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5R)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[(5S)-7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(4-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 157463381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).