carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide

C71H70ClF4IN19O2S3W- — CID 161173663

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide (PubChem CID 161173663) has the molecular formula C71H70ClF4IN19O2S3W- and a molecular weight of 1739.86 g/mol. Its IUPAC name is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide.

Molecular Properties

• Compound Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide
• PubChem CID: 161173663
• Molecular Formula: C71H70ClF4IN19O2S3W-
• Molecular Weight: 1739.86 g/mol
• Exact Mass: 1738.33
• IUPAC Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide
• SMILES: C.C.CSc1nc(-c2cc(F)cc3[nH]ccc23)cc(-c2ccnn2C)n1.CSc1nc(Cl)cc(-c2cc(F)cc3[nH]ccc23)n1.C[C@@H]1COCCN1c1nc(-c2cc(F)cc3[nH]ccc23)cc(-c2ccnn2C)n1.Cn1nccc1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(S(C)=O)n1.I.[CH3-].[W]
• InChI: InChI=1S/C21H21FN6O.C17H14FN5OS.C17H14FN5S.C13H9ClFN3S.2CH4.CH3.HI.W/c1-13-12-29-8-7-28(13)21-25-18(11-19(26-21)20-4-6-24-27(20)2)16-9-14(22)10-17-15(16)3-5-23-17;1-23-16(4-6-20-23)15-9-14(21-17(22-15)25(2)24)12-7-10(18)8-13-11(12)3-5-19-13;1-23-16(4-6-20-23)15-9-14(21-17(22-15)24-2)12-7-10(18)8-13-11(12)3-5-19-13;1-19-13-17-11(6-12(14)18-13)9-4-7(15)5-10-8(9)2-3-16-10;;;;;/h3-6,9-11,13,23H,7-8,12H2,1-2H3;3-9,19H,1-2H3;3-9,19H,1-2H3;2-6,16H,1H3;2*1H4;1H3;1H;/q;;;;;;-1;;/t13-;;;;;;;;/m1......../s1
• InChIKey: NEQGVKJPNUFWCI-XMFMNBLESA-N
• XLogP: 16.66
• TPSA: 249.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.86
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide?

The IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide (CID 161173663) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide.

What is the SMILES notation for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide?

The canonical SMILES for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide is C.C.CSc1nc(-c2cc(F)cc3[nH]ccc23)cc(-c2ccnn2C)n1.CSc1nc(Cl)cc(-c2cc(F)cc3[nH]ccc23)n1.C[C@@H]1COCCN1c1nc(-c2cc(F)cc3[nH]ccc23)cc(-c2ccnn2C)n1.Cn1nccc1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(S(C)=O)n1.I.[CH3-].[W].

What is the InChIKey of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide?

The InChIKey is NEQGVKJPNUFWCI-XMFMNBLESA-N. The full InChI is InChI=1S/C21H21FN6O.C17H14FN5OS.C17H14FN5S.C13H9ClFN3S.2CH4.CH3.HI.W/c1-13-12-29-8-7-28(13)21-25-18(11-19(26-21)20-4-6-24-27(20)2)16-9-14(22)10-17-15(16)3-5-23-17;1-23-16(4-6-20-23)15-9-14(21-17(22-15)25(2)24)12-7-10(18)8-13-11(12)3-5-19-13;1-23-16(4-6-20-23)15-9-14(21-17(22-15)24-2)12-7-10(18)8-13-11(12)3-5-19-13;1-19-13-17-11(6-12(14)18-13)9-4-7(15)5-10-8(9)2-3-16-10;;;;;/h3-6,9-11,13,23H,7-8,12H2,1-2H3;3-9,19H,1-2H3;3-9,19H,1-2H3;2-6,16H,1H3;2*1H4;1H3;1H;/q;;;;;;-1;;/t13-;;;;;;;;/m1......../s1.

What are the key properties of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide?

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide has a molecular weight of 1739.86 g/mol, XLogP of 16.66, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide is sourced from PubChem (CID 161173663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).