[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

C148H174Cl5N39O19 — CID 158250513

IUPAC[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCCC3)CC2)c1.O=C(NC1CC1)c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3cccnc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCOCC1
InChIInChI=1S/C26H27Cl2N5O2.C25H25Cl2N5O2.C21H25N5O5.C20H26ClN5O.2C19H24N6O3.C18H23N7O3/c27-22-7-3-19(4-8-22)24(20-5-9-23(28)10-6-20)30-13-15-32(16-14-30)26(35)33-18-21(17-29-33)25(34)31-11-1-2-12-31;26-20-5-1-17(2-6-20)23(18-3-7-21(27)8-4-18)30-11-13-31(14-12-30)25(34)32-16-19(15-28-32)24(33)29-22-9-10-22;27-20(24-7-9-29-10-8-24)17-12-22-26(14-17)21(28)25-5-3-23(4-6-25)13-16-1-2-18-19(11-16)31-15-30-18;1-16-13-22-26(14-16)20(27)25-10-8-23(9-11-25)15-17-4-5-18(21)12-19(17)24-6-2-3-7-24;26-18(23-9-11-28-12-10-23)17-13-21-25(15-17)19(27)24-7-5-22(6-8-24)14-16-1-3-20-4-2-16;26-18(23-8-10-28-11-9-23)17-13-21-25(15-17)19(27)24-6-4-22(5-7-24)14-16-2-1-3-20-12-16;26-17(23-7-9-28-10-8-23)15-11-21-25(12-15)18(27)24-5-3-22(4-6-24)13-16-1-2-19-14-20-16/h3-10,17-18,24H,1-2,11-16H2;1-8,15-16,22-23H,9-14H2,(H,29,33);1-2,11-12,14H,3-10,13,15H2;4-5,12-14H,2-3,6-11,15H2,1H3;1-4,13,15H,5-12,14H2;1-3,12-13,15H,4-11,14H2;1-2,11-12,14H,3-10,13H2
InChIKeyGGQRMXPBUUSHAR-UHFFFAOYSA-N
MW2980.54 g/mol
LogP14.36
Rot. Bonds24

About [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (PubChem CID 158250513) has the molecular formula C148H174Cl5N39O19 and a molecular weight of 2980.54 g/mol. Its IUPAC name is [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
PubChem CID158250513
Molecular FormulaC148H174Cl5N39O19
Molecular Weight2980.54 g/mol
Exact Mass2976.23
IUPAC Name[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCCC3)CC2)c1.O=C(NC1CC1)c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3cccnc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCOCC1
InChIInChI=1S/C26H27Cl2N5O2.C25H25Cl2N5O2.C21H25N5O5.C20H26ClN5O.2C19H24N6O3.C18H23N7O3/c27-22-7-3-19(4-8-22)24(20-5-9-23(28)10-6-20)30-13-15-32(16-14-30)26(35)33-18-21(17-29-33)25(34)31-11-1-2-12-31;26-20-5-1-17(2-6-20)23(18-3-7-21(27)8-4-18)30-11-13-31(14-12-30)25(34)32-16-19(15-28-32)24(33)29-22-9-10-22;27-20(24-7-9-29-10-8-24)17-12-22-26(14-17)21(28)25-5-3-23(4-6-25)13-16-1-2-18-19(11-16)31-15-30-18;1-16-13-22-26(14-16)20(27)25-10-8-23(9-11-25)15-17-4-5-18(21)12-19(17)24-6-2-3-7-24;26-18(23-9-11-28-12-10-23)17-13-21-25(15-17)19(27)24-7-5-22(6-8-24)14-16-1-3-20-4-2-16;26-18(23-8-10-28-11-9-23)17-13-21-25(15-17)19(27)24-6-4-22(5-7-24)14-16-2-1-3-20-12-16;26-17(23-7-9-28-10-8-23)15-11-21-25(12-15)18(27)24-5-3-22(4-6-24)13-16-1-2-19-14-20-16/h3-10,17-18,24H,1-2,11-16H2;1-8,15-16,22-23H,9-14H2,(H,29,33);1-2,11-12,14H,3-10,13,15H2;4-5,12-14H,2-3,6-11,15H2,1H3;1-4,13,15H,5-12,14H2;1-3,12-13,15H,4-11,14H2;1-2,11-12,14H,3-10,13H2
InChIKeyGGQRMXPBUUSHAR-UHFFFAOYSA-N
XLogP14.36
TPSA530.42 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002980.54
LogP ≤ 514.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Analyze [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-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

Related Compounds

Azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 159176878
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane
CID 159966210
2-[4-[[(4-chloro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(6-chloro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(5,6-dimethoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(1-ethyl-6-methoxyindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1-methylindol-7-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 160088264
2-[4-[[(1-butylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(6-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[[1-(2-methoxyethyl)indol-3-yl]methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1-methylindol-5-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(5-propyl-[1,3]dioxolo[4,5-f]indol-7-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1,2,5-trimethylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 160924737
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161259556

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The IUPAC name of [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (CID 158250513) is [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.
What is the SMILES notation for [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The canonical SMILES for [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is Cc1cnn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCCC3)CC2)c1.O=C(NC1CC1)c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3cccnc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCOCC1.
What is the InChIKey of [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The InChIKey is GGQRMXPBUUSHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O2.C25H25Cl2N5O2.C21H25N5O5.C20H26ClN5O.2C19H24N6O3.C18H23N7O3/c27-22-7-3-19(4-8-22)24(20-5-9-23(28)10-6-20)30-13-15-32(16-14-30)26(35)33-18-21(17-29-33)25(34)31-11-1-2-12-31;26-20-5-1-17(2-6-20)23(18-3-7-21(27)8-4-18)30-11-13-31(14-12-30)25(34)32-16-19(15-28-32)24(33)29-22-9-10-22;27-20(24-7-9-29-10-8-24)17-12-22-26(14-17)21(28)25-5-3-23(4-6-25)13-16-1-2-18-19(11-16)31-15-30-18;1-16-13-22-26(14-16)20(27)25-10-8-23(9-11-25)15-17-4-5-18(21)12-19(17)24-6-2-3-7-24;26-18(23-9-11-28-12-10-23)17-13-21-25(15-17)19(27)24-7-5-22(6-8-24)14-16-1-3-20-4-2-16;26-18(23-8-10-28-11-9-23)17-13-21-25(15-17)19(27)24-6-4-22(5-7-24)14-16-2-1-3-20-12-16;26-17(23-7-9-28-10-8-23)15-11-21-25(12-15)18(27)24-5-3-22(4-6-24)13-16-1-2-19-14-20-16/h3-10,17-18,24H,1-2,11-16H2;1-8,15-16,22-23H,9-14H2,(H,29,33);1-2,11-12,14H,3-10,13,15H2;4-5,12-14H,2-3,6-11,15H2,1H3;1-4,13,15H,5-12,14H2;1-3,12-13,15H,4-11,14H2;1-2,11-12,14H,3-10,13H2.
What are the key properties of [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone has a molecular weight of 2980.54 g/mol, XLogP of 14.36, 24 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 158250513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).