carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide

C74H76ClF4IN19O2S3W- — CID 158341281

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide (PubChem CID 158341281) has the molecular formula C74H76ClF4IN19O2S3W- and a molecular weight of 1781.94 g/mol. Its IUPAC name is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide.

Molecular Properties

• Compound Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide
• PubChem CID: 158341281
• Molecular Formula: C74H76ClF4IN19O2S3W-
• Molecular Weight: 1781.94 g/mol
• Exact Mass: 1780.38
• IUPAC Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide
• SMILES: C.C.CSc1nc(-c2cc(F)cc3[nH]ccc23)cc(-c2c(C)cnn2C)n1.CSc1nc(Cl)cc(-c2cc(F)cc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(S(C)=O)n1.I.[CH3-].[W]
• InChI: InChI=1S/C22H23FN6O.C18H16FN5OS.C18H16FN5S.C13H9ClFN3S.2CH4.CH3.HI.W/c1-13-11-25-28(3)21(13)20-10-19(17-8-15(23)9-18-16(17)4-5-24-18)26-22(27-20)29-6-7-30-12-14(29)2;1-10-9-21-24(2)17(10)16-8-15(22-18(23-16)26(3)25)13-6-11(19)7-14-12(13)4-5-20-14;1-10-9-21-24(2)17(10)16-8-15(22-18(23-16)25-3)13-6-11(19)7-14-12(13)4-5-20-14;1-19-13-17-11(6-12(14)18-13)9-4-7(15)5-10-8(9)2-3-16-10;;;;;/h4-5,8-11,14,24H,6-7,12H2,1-3H3;4-9,20H,1-3H3;4-9,20H,1-3H3;2-6,16H,1H3;2*1H4;1H3;1H;/q;;;;;;-1;;/t14-;;;;;;;;/m1......../s1
• InChIKey: LFDTXGMISYMWRP-XNEIWNAISA-N
• XLogP: 17.58
• TPSA: 249.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.94
LogP ≤ 5	17.58
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-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide?

The IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide (CID 158341281) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-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-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide?

The canonical SMILES for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide is C.C.CSc1nc(-c2cc(F)cc3[nH]ccc23)cc(-c2c(C)cnn2C)n1.CSc1nc(Cl)cc(-c2cc(F)cc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-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-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide?

The InChIKey is LFDTXGMISYMWRP-XNEIWNAISA-N. The full InChI is InChI=1S/C22H23FN6O.C18H16FN5OS.C18H16FN5S.C13H9ClFN3S.2CH4.CH3.HI.W/c1-13-11-25-28(3)21(13)20-10-19(17-8-15(23)9-18-16(17)4-5-24-18)26-22(27-20)29-6-7-30-12-14(29)2;1-10-9-21-24(2)17(10)16-8-15(22-18(23-16)26(3)25)13-6-11(19)7-14-12(13)4-5-20-14;1-10-9-21-24(2)17(10)16-8-15(22-18(23-16)25-3)13-6-11(19)7-14-12(13)4-5-20-14;1-19-13-17-11(6-12(14)18-13)9-4-7(15)5-10-8(9)2-3-16-10;;;;;/h4-5,8-11,14,24H,6-7,12H2,1-3H3;4-9,20H,1-3H3;4-9,20H,1-3H3;2-6,16H,1H3;2*1H4;1H3;1H;/q;;;;;;-1;;/t14-;;;;;;;;/m1......../s1.

What are the key properties of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide?

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide has a molecular weight of 1781.94 g/mol, XLogP of 17.58, 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-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide is sourced from PubChem (CID 158341281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).