1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone

C191H223Cl5F18N40O18 — CID 160624436

IUPAC1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone
SMILESCC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)c1.CCC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)c1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1
InChIInChI=1S/C27H32ClF3N6O2.C27H33F3N6O2.C24H27ClF3N5O3.C24H27ClF3N5O2.C24H28F3N5O3.C24H28F3N5O2.C21H25ClN4O2.C20H23ClN4O2/c28-22-12-19(11-21(13-22)27(29,30)31)15-33-5-3-26(17-33)4-6-36(18-26)25(39)37-16-20(14-32-37)24(38)35-9-7-34(8-10-35)23-1-2-23;28-27(29,30)22-3-1-2-20(14-22)16-32-8-6-26(18-32)7-9-35(19-26)25(38)36-17-21(15-31-36)24(37)34-12-10-33(11-13-34)23-4-5-23;25-20-10-17(9-19(11-20)24(26,27)28)13-30-3-1-23(15-30)2-4-32(16-23)22(35)33-14-18(12-29-33)21(34)31-5-7-36-8-6-31;25-20-10-17(9-19(11-20)24(26,27)28)13-30-7-3-23(15-30)4-8-32(16-23)22(35)33-14-18(12-29-33)21(34)31-5-1-2-6-31;25-24(26,27)20-3-1-2-18(12-20)14-29-6-4-23(16-29)5-7-31(17-23)22(34)32-15-19(13-28-32)21(33)30-8-10-35-11-9-30;25-24(26,27)20-5-3-4-18(12-20)14-29-10-6-23(16-29)7-11-31(17-23)22(34)32-15-19(13-28-32)21(33)30-8-1-2-9-30;1-2-19(27)17-11-23-26(13-17)20(28)25-10-8-21(15-25)7-9-24(14-21)12-16-3-5-18(22)6-4-16;1-15(26)17-10-22-25(12-17)19(27)24-9-7-20(14-24)6-8-23(13-20)11-16-2-4-18(21)5-3-16/h11-14,16,23H,1-10,15,17-18H2;1-3,14-15,17,23H,4-13,16,18-19H2;9-12,14H,1-8,13,15-16H2;9-12,14H,1-8,13,15-16H2;1-3,12-13,15H,4-11,14,16-17H2;3-5,12-13,15H,1-2,6-11,14,16-17H2;3-6,11,13H,2,7-10,12,14-15H2,1H3;2-5,10,12H,6-9,11,13-14H2,1H3
InChIKeyRHCOGXIRBMKLFO-UHFFFAOYSA-N
MW3886.38 g/mol
LogP29.03
Rot. Bonds27

About 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone

1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone (PubChem CID 160624436) has the molecular formula C191H223Cl5F18N40O18 and a molecular weight of 3886.38 g/mol. Its IUPAC name is 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone
PubChem CID160624436
Molecular FormulaC191H223Cl5F18N40O18
Molecular Weight3886.38 g/mol
Exact Mass3881.59
IUPAC Name1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone
SMILESCC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)c1.CCC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)c1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1
InChIInChI=1S/C27H32ClF3N6O2.C27H33F3N6O2.C24H27ClF3N5O3.C24H27ClF3N5O2.C24H28F3N5O3.C24H28F3N5O2.C21H25ClN4O2.C20H23ClN4O2/c28-22-12-19(11-21(13-22)27(29,30)31)15-33-5-3-26(17-33)4-6-36(18-26)25(39)37-16-20(14-32-37)24(38)35-9-7-34(8-10-35)23-1-2-23;28-27(29,30)22-3-1-2-20(14-22)16-32-8-6-26(18-32)7-9-35(19-26)25(38)36-17-21(15-31-36)24(37)34-12-10-33(11-13-34)23-4-5-23;25-20-10-17(9-19(11-20)24(26,27)28)13-30-3-1-23(15-30)2-4-32(16-23)22(35)33-14-18(12-29-33)21(34)31-5-7-36-8-6-31;25-20-10-17(9-19(11-20)24(26,27)28)13-30-7-3-23(15-30)4-8-32(16-23)22(35)33-14-18(12-29-33)21(34)31-5-1-2-6-31;25-24(26,27)20-3-1-2-18(12-20)14-29-6-4-23(16-29)5-7-31(17-23)22(34)32-15-19(13-28-32)21(33)30-8-10-35-11-9-30;25-24(26,27)20-5-3-4-18(12-20)14-29-10-6-23(16-29)7-11-31(17-23)22(34)32-15-19(13-28-32)21(33)30-8-1-2-9-30;1-2-19(27)17-11-23-26(13-17)20(28)25-10-8-21(15-25)7-9-24(14-21)12-16-3-5-18(22)6-4-16;1-15(26)17-10-22-25(12-17)19(27)24-9-7-20(14-24)6-8-23(13-20)11-16-2-4-18(21)5-3-16/h11-14,16,23H,1-10,15,17-18H2;1-3,14-15,17,23H,4-13,16,18-19H2;9-12,14H,1-8,13,15-16H2;9-12,14H,1-8,13,15-16H2;1-3,12-13,15H,4-11,14,16-17H2;3-5,12-13,15H,1-2,6-11,14,16-17H2;3-6,11,13H,2,7-10,12,14-15H2,1H3;2-5,10,12H,6-9,11,13-14H2,1H3
InChIKeyRHCOGXIRBMKLFO-UHFFFAOYSA-N
XLogP29.03
TPSA511.90 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003886.38
LogP ≤ 529.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone?
The IUPAC name of 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone (CID 160624436) is 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone.
What is the SMILES notation for 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone?
The canonical SMILES for 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone is CC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)c1.CCC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)c1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCN(C2CC2)CC1.O=C(c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)C2)c1)N1CCOCC1.
What is the InChIKey of 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone?
The InChIKey is RHCOGXIRBMKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClF3N6O2.C27H33F3N6O2.C24H27ClF3N5O3.C24H27ClF3N5O2.C24H28F3N5O3.C24H28F3N5O2.C21H25ClN4O2.C20H23ClN4O2/c28-22-12-19(11-21(13-22)27(29,30)31)15-33-5-3-26(17-33)4-6-36(18-26)25(39)37-16-20(14-32-37)24(38)35-9-7-34(8-10-35)23-1-2-23;28-27(29,30)22-3-1-2-20(14-22)16-32-8-6-26(18-32)7-9-35(19-26)25(38)36-17-21(15-31-36)24(37)34-12-10-33(11-13-34)23-4-5-23;25-20-10-17(9-19(11-20)24(26,27)28)13-30-3-1-23(15-30)2-4-32(16-23)22(35)33-14-18(12-29-33)21(34)31-5-7-36-8-6-31;25-20-10-17(9-19(11-20)24(26,27)28)13-30-7-3-23(15-30)4-8-32(16-23)22(35)33-14-18(12-29-33)21(34)31-5-1-2-6-31;25-24(26,27)20-3-1-2-18(12-20)14-29-6-4-23(16-29)5-7-31(17-23)22(34)32-15-19(13-28-32)21(33)30-8-10-35-11-9-30;25-24(26,27)20-5-3-4-18(12-20)14-29-10-6-23(16-29)7-11-31(17-23)22(34)32-15-19(13-28-32)21(33)30-8-1-2-9-30;1-2-19(27)17-11-23-26(13-17)20(28)25-10-8-21(15-25)7-9-24(14-21)12-16-3-5-18(22)6-4-16;1-15(26)17-10-22-25(12-17)19(27)24-9-7-20(14-24)6-8-23(13-20)11-16-2-4-18(21)5-3-16/h11-14,16,23H,1-10,15,17-18H2;1-3,14-15,17,23H,4-13,16,18-19H2;9-12,14H,1-8,13,15-16H2;9-12,14H,1-8,13,15-16H2;1-3,12-13,15H,4-11,14,16-17H2;3-5,12-13,15H,1-2,6-11,14,16-17H2;3-6,11,13H,2,7-10,12,14-15H2,1H3;2-5,10,12H,6-9,11,13-14H2,1H3.
What are the key properties of 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone?
1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone has a molecular weight of 3886.38 g/mol, XLogP of 29.03, 27 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]propan-1-one;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;(4-cyclopropylpiperazin-1-yl)-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone;pyrrolidin-1-yl-[1-[7-[[3-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 160624436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).