bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C48H50B2F4N10O10S11 — CID 161132972

IUPACbis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCC1(C)OB(c2cccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4ccccc43)c2F)OC1(C)C.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(B(O)O)c2F)c2ccccc12.S=S=S=S=S.S=S=S=S=S=S
InChIInChI=1S/C27H30BF2N5O5.C21H20BF2N5O5.S6.S5/c1-26(2)27(3,4)40-28(39-26)17-9-7-10-18(22(17)30)32-25(38)20-12-15(29)13-34(20)21(36)14-35-19-11-6-5-8-16(19)23(33-35)24(31)37;23-11-8-16(21(32)26-14-6-3-5-13(18(14)24)22(33)34)28(9-11)17(30)10-29-15-7-2-1-4-12(15)19(27-29)20(25)31;1-3-5-6-4-2;1-3-5-4-2/h5-11,15,20H,12-14H2,1-4H3,(H2,31,37)(H,32,38);1-7,11,16,33-34H,8-10H2,(H2,25,31)(H,26,32);;/t15-,20+;11-,16+;;/m11../s1
InChIKeyUMKYMPMWFRWRFQ-JSKXJKDRSA-N
MW1377.34 g/mol
LogP1.66
Rot. Bonds12

About bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 161132972) has the molecular formula C48H50B2F4N10O10S11 and a molecular weight of 1377.34 g/mol. Its IUPAC name is bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Namebis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID161132972
Molecular FormulaC48H50B2F4N10O10S11
Molecular Weight1377.34 g/mol
Exact Mass1376.08
IUPAC Namebis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCC1(C)OB(c2cccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4ccccc43)c2F)OC1(C)C.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(B(O)O)c2F)c2ccccc12.S=S=S=S=S.S=S=S=S=S=S
InChIInChI=1S/C27H30BF2N5O5.C21H20BF2N5O5.S6.S5/c1-26(2)27(3,4)40-28(39-26)17-9-7-10-18(22(17)30)32-25(38)20-12-15(29)13-34(20)21(36)14-35-19-11-6-5-8-16(19)23(33-35)24(31)37;23-11-8-16(21(32)26-14-6-3-5-13(18(14)24)22(33)34)28(9-11)17(30)10-29-15-7-2-1-4-12(15)19(27-29)20(25)31;1-3-5-6-4-2;1-3-5-4-2/h5-11,15,20H,12-14H2,1-4H3,(H2,31,37)(H,32,38);1-7,11,16,33-34H,8-10H2,(H2,25,31)(H,26,32);;/t15-,20+;11-,16+;;/m11../s1
InChIKeyUMKYMPMWFRWRFQ-JSKXJKDRSA-N
XLogP1.66
TPSA279.56 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.34
LogP ≤ 51.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 161132972) is bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is CC1(C)OB(c2cccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4ccccc43)c2F)OC1(C)C.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(B(O)O)c2F)c2ccccc12.S=S=S=S=S.S=S=S=S=S=S.
What is the InChIKey of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is UMKYMPMWFRWRFQ-JSKXJKDRSA-N. The full InChI is InChI=1S/C27H30BF2N5O5.C21H20BF2N5O5.S6.S5/c1-26(2)27(3,4)40-28(39-26)17-9-7-10-18(22(17)30)32-25(38)20-12-15(29)13-34(20)21(36)14-35-19-11-6-5-8-16(19)23(33-35)24(31)37;23-11-8-16(21(32)26-14-6-3-5-13(18(14)24)22(33)34)28(9-11)17(30)10-29-15-7-2-1-4-12(15)19(27-29)20(25)31;1-3-5-6-4-2;1-3-5-4-2/h5-11,15,20H,12-14H2,1-4H3,(H2,31,37)(H,32,38);1-7,11,16,33-34H,8-10H2,(H2,25,31)(H,26,32);;/t15-,20+;11-,16+;;/m11../s1.
What are the key properties of bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1377.34 g/mol, XLogP of 1.66, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]boronic acid;1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 161132972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).