carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten

C51H59N14O4SW- — CID 159426001

About carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten

carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten (PubChem CID 159426001) has the molecular formula C51H59N14O4SW- and a molecular weight of 1148.03 g/mol. Its IUPAC name is carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten.

Molecular Properties

• Compound Name: carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
• PubChem CID: 159426001
• Molecular Formula: C51H59N14O4SW-
• Molecular Weight: 1148.03 g/mol
• Exact Mass: 1147.41
• IUPAC Name: carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
• SMILES: C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(N5CCOC[C@H]5C)cc(-n5c(C)nnc5C)n4)cccc32)cc1.Cc1nnc(C)n1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.[CH3-].[W]
• InChI: InChI=1S/C28H29N7O3S.C21H23N7O.CH4.CH3.W/c1-18-8-10-22(11-9-18)39(36,37)34-13-12-23-24(6-5-7-25(23)34)28-29-26(33-14-15-38-17-19(33)2)16-27(30-28)35-20(3)31-32-21(35)4;1-13-12-29-10-9-27(13)19-11-20(28-14(2)25-26-15(28)3)24-21(23-19)17-5-4-6-18-16(17)7-8-22-18;;;/h5-13,16,19H,14-15,17H2,1-4H3;4-8,11,13,22H,9-10,12H2,1-3H3;1H4;1H3;/q;;;-1;/t19-;13-;;;/m11.../s1
• InChIKey: PUFWFPXIZUBGSY-MBEFOOCNSA-N
• XLogP: 8.20
• TPSA: 192.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1148.03
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

The IUPAC name of carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten (CID 159426001) is carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten.

What is the SMILES notation for carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

The canonical SMILES for carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten is C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(N5CCOC[C@H]5C)cc(-n5c(C)nnc5C)n4)cccc32)cc1.Cc1nnc(C)n1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

The InChIKey is PUFWFPXIZUBGSY-MBEFOOCNSA-N. The full InChI is InChI=1S/C28H29N7O3S.C21H23N7O.CH4.CH3.W/c1-18-8-10-22(11-9-18)39(36,37)34-13-12-23-24(6-5-7-25(23)34)28-29-26(33-14-15-38-17-19(33)2)16-27(30-28)35-20(3)31-32-21(35)4;1-13-12-29-10-9-27(13)19-11-20(28-14(2)25-26-15(28)3)24-21(23-19)17-5-4-6-18-16(17)7-8-22-18;;;/h5-13,16,19H,14-15,17H2,1-4H3;4-8,11,13,22H,9-10,12H2,1-3H3;1H4;1H3;/q;;;-1;/t19-;13-;;;/m11.../s1.

What are the key properties of carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten has a molecular weight of 1148.03 g/mol, XLogP of 8.20, 8 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten is sourced from PubChem (CID 159426001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).