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

C373H327F10N51O21S10 — CID 163330205

IUPACdecakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide
SMILESCN(C)C=O.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/10C37H32FN5O2S.C3H7NO/c10*38-33-14-8-7-11-29(33)26-45-32-17-15-28(16-18-32)35-30(25-43(40-35)31-12-5-2-6-13-31)23-34-36(44)39-37(46-34)42-21-19-41(20-22-42)24-27-9-3-1-4-10-27;1-4(2)3-5/h10*1-18,23,25H,19-22,24,26H2;3H,1-2H3/b10*34-23-;
InChIKeyLNRWJYHQXDOZET-MVFHPLLASA-N
MW6370.71 g/mol
LogP70.16
Rot. Bonds81

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

decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide (PubChem CID 163330205) has the molecular formula C373H327F10N51O21S10 and a molecular weight of 6370.71 g/mol. Its IUPAC name is decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide.

Molecular Properties

Compound Namedecakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide
PubChem CID163330205
Molecular FormulaC373H327F10N51O21S10
Molecular Weight6370.71 g/mol
Exact Mass6365.31
IUPAC Namedecakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide
SMILESCN(C)C=O.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/10C37H32FN5O2S.C3H7NO/c10*38-33-14-8-7-11-29(33)26-45-32-17-15-28(16-18-32)35-30(25-43(40-35)31-12-5-2-6-13-31)23-34-36(44)39-37(46-34)42-21-19-41(20-22-42)24-27-9-3-1-4-10-27;1-4(2)3-5/h10*1-18,23,25H,19-22,24,26H2;3H,1-2H3/b10*34-23-;
InChIKeyLNRWJYHQXDOZET-MVFHPLLASA-N
XLogP70.16
TPSA649.91 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds81
Heavy Atoms465
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006370.71
LogP ≤ 570.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

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

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Related Compounds

2-(4-Benzylpiperazin-1-yl)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 3287787
2-(4-Benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 4122589
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 5783446
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 16427728
Bis(5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione);tris(5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione)
CID 157414027
5-[[3-(4-Butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione;bis(5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione);5-[[3-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione
CID 159377252
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one;N,N-dimethylformamide
CID 45047439
acetic acid;tris(2-[(5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid)
CID 163330175
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
acetic acid;pentakis(ethyl (2Z)-2-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate)
CID 163330200
acetic acid;pentakis(prop-2-enyl (2Z)-2-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate)
CID 163330201
acetic acid;tetrakis(prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate)
CID 163330202

Frequently Asked Questions

What is the IUPAC name of decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
The IUPAC name of decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide (CID 163330205) is decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)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-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
The canonical SMILES for decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide is CN(C)C=O.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
The InChIKey is LNRWJYHQXDOZET-MVFHPLLASA-N. The full InChI is InChI=1S/10C37H32FN5O2S.C3H7NO/c10*38-33-14-8-7-11-29(33)26-45-32-17-15-28(16-18-32)35-30(25-43(40-35)31-12-5-2-6-13-31)23-34-36(44)39-37(46-34)42-21-19-41(20-22-42)24-27-9-3-1-4-10-27;1-4(2)3-5/h10*1-18,23,25H,19-22,24,26H2;3H,1-2H3/b10*34-23-;.
What are the key properties of decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide?
decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide has a molecular weight of 6370.71 g/mol, XLogP of 70.16, 81 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for decakis((5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one);N,N-dimethylformamide is sourced from PubChem (CID 163330205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).