carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten

C80H106BClN21O10W- — CID 157213410

About carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten

carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten (PubChem CID 157213410) has the molecular formula C80H106BClN21O10W- and a molecular weight of 1751.97 g/mol. Its IUPAC name is carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten.

Molecular Properties

• Compound Name: carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten
• PubChem CID: 157213410
• Molecular Formula: C80H106BClN21O10W-
• Molecular Weight: 1751.97 g/mol
• Exact Mass: 1750.77
• IUPAC Name: carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten
• SMILES: C.CC.CC.COC(=O)c1cc(-c2nc(-c3c(C)nnn3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c2c1.Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.[CH3-].[W]
• InChI: InChI=1S/C23H25N7O3.C22H25N7O2.C16H20BNO4.C13H17ClN6O.2C2H6.CH4.CH3.W/c1-13-12-33-8-7-30(13)20-11-19(21-14(2)27-28-29(21)3)25-22(26-20)17-9-15(23(31)32-4)10-18-16(17)5-6-24-18;1-13-12-31-7-6-29(13)20-10-19(21-14(2)26-27-28(21)3)24-22(25-20)17-8-15(11-30)9-18-16(17)4-5-23-18;1-15(2)16(3,4)22-17(21-15)12-8-10(14(19)20-5)9-13-11(12)6-7-18-13;1-8-7-21-5-4-20(8)11-6-10(15-13(14)16-11)12-9(2)17-18-19(12)3;2*1-2;;;/h5-6,9-11,13,24H,7-8,12H2,1-4H3;4-5,8-10,13,23,30H,6-7,11-12H2,1-3H3;6-9,18H,1-5H3;6,8H,4-5,7H2,1-3H3;2*1-2H3;1H4;1H3;/q;;;;;;;-1;/t2*13-;;8-;;;;;/m11.1...../s1
• InChIKey: JYGXERKGXFITNA-OIEKYNORSA-N
• XLogP: 12.04
• TPSA: 345.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.97
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten?

The IUPAC name of carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten (CID 157213410) is carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten.

What is the SMILES notation for carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten?

The canonical SMILES for carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten is C.CC.CC.COC(=O)c1cc(-c2nc(-c3c(C)nnn3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c2c1.Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.Cc1nnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten?

The InChIKey is JYGXERKGXFITNA-OIEKYNORSA-N. The full InChI is InChI=1S/C23H25N7O3.C22H25N7O2.C16H20BNO4.C13H17ClN6O.2C2H6.CH4.CH3.W/c1-13-12-33-8-7-30(13)20-11-19(21-14(2)27-28-29(21)3)25-22(26-20)17-9-15(23(31)32-4)10-18-16(17)5-6-24-18;1-13-12-31-7-6-29(13)20-10-19(21-14(2)26-27-28(21)3)24-22(25-20)17-8-15(11-30)9-18-16(17)4-5-23-18;1-15(2)16(3,4)22-17(21-15)12-8-10(14(19)20-5)9-13-11(12)6-7-18-13;1-8-7-21-5-4-20(8)11-6-10(15-13(14)16-11)12-9(2)17-18-19(12)3;2*1-2;;;/h5-6,9-11,13,24H,7-8,12H2,1-4H3;4-5,8-10,13,23,30H,6-7,11-12H2,1-3H3;6-9,18H,1-5H3;6,8H,4-5,7H2,1-3H3;2*1-2H3;1H4;1H3;/q;;;;;;;-1;/t2*13-;;8-;;;;;/m11.1...../s1.

What are the key properties of carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten?

carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten has a molecular weight of 1751.97 g/mol, XLogP of 12.04, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten is sourced from PubChem (CID 157213410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).