decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide

C383H337Cl10N41O21S10 — CID 163330195

IUPACdecakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide
SMILESCN(C)C=O.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/10C38H33ClN4O2S.C3H7NO/c10*39-34-14-8-7-11-30(34)26-45-33-17-15-29(16-18-33)36-31(25-43(41-36)32-12-5-2-6-13-32)24-35-37(44)40-38(46-35)42-21-19-28(20-22-42)23-27-9-3-1-4-10-27;1-4(2)3-5/h10*1-18,24-25,28H,19-23,26H2;3H,1-2H3/b10*35-24-;
InChIKeyITENUETVWPPUBJ-JVPUTZNKSA-N
MW6525.38 g/mol
LogP86.67
Rot. Bonds81

About decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide

decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide (PubChem CID 163330195) has the molecular formula C383H337Cl10N41O21S10 and a molecular weight of 6525.38 g/mol. Its IUPAC name is decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide.

Molecular Properties

Compound Namedecakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide
PubChem CID163330195
Molecular FormulaC383H337Cl10N41O21S10
Molecular Weight6525.38 g/mol
Exact Mass6515.07
IUPAC Namedecakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide
SMILESCN(C)C=O.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/10C38H33ClN4O2S.C3H7NO/c10*39-34-14-8-7-11-30(34)26-45-33-17-15-29(16-18-33)36-31(25-43(41-36)32-12-5-2-6-13-32)24-35-37(44)40-38(46-35)42-21-19-28(20-22-42)23-27-9-3-1-4-10-27;1-4(2)3-5/h10*1-18,24-25,28H,19-23,26H2;3H,1-2H3/b10*35-24-;
InChIKeyITENUETVWPPUBJ-JVPUTZNKSA-N
XLogP86.67
TPSA617.51 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds81
Heavy Atoms465
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006525.38
LogP ≤ 586.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

Analyze decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
The IUPAC name of decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide (CID 163330195) is decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide.
What is the SMILES notation for decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
The canonical SMILES for decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide is CN(C)C=O.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
The InChIKey is ITENUETVWPPUBJ-JVPUTZNKSA-N. The full InChI is InChI=1S/10C38H33ClN4O2S.C3H7NO/c10*39-34-14-8-7-11-30(34)26-45-33-17-15-29(16-18-33)36-31(25-43(41-36)32-12-5-2-6-13-32)24-35-37(44)40-38(46-35)42-21-19-28(20-22-42)23-27-9-3-1-4-10-27;1-4(2)3-5/h10*1-18,24-25,28H,19-23,26H2;3H,1-2H3/b10*35-24-;.
What are the key properties of decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide has a molecular weight of 6525.38 g/mol, XLogP of 86.67, 81 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for decakis((5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide is sourced from PubChem (CID 163330195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).