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

C97H121BCl3N18O15W- — CID 160504200

About carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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 160504200) has the molecular formula C97H121BCl3N18O15W- and a molecular weight of 2080.16 g/mol. Its IUPAC name is carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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: 160504200
• Molecular Formula: C97H121BCl3N18O15W-
• Molecular Weight: 2080.16 g/mol
• Exact Mass: 2077.79
• IUPAC Name: carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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.C.C.CC.COC(=O)c1cc(-c2nc(-c3c(C)noc3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(-c2nc(Cl)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c2c1.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.[CH3-].[W]
• InChI: InChI=1S/C24H25N5O4.C23H25N5O3.C19H19ClN4O3.C16H20BNO4.C9H11Cl2N3O.C2H6.3CH4.CH3.W/c1-13-12-32-8-7-29(13)21-11-20(22-14(2)28-33-15(22)3)26-23(27-21)18-9-16(24(30)31-4)10-19-17(18)5-6-25-19;1-13-12-30-7-6-28(13)21-10-20(22-14(2)27-31-15(22)3)25-23(26-21)18-8-16(11-29)9-19-17(18)4-5-24-19;1-11-10-27-6-5-24(11)17-9-16(20)22-18(23-17)14-7-12(19(25)26-2)8-15-13(14)3-4-21-15;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;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;1-2;;;;;/h5-6,9-11,13,25H,7-8,12H2,1-4H3;4-5,8-10,13,24,29H,6-7,11-12H2,1-3H3;3-4,7-9,11,21H,5-6,10H2,1-2H3;6-9,18H,1-5H3;4,6H,2-3,5H2,1H3;1-2H3;3*1H4;1H3;/q;;;;;;;;;-1;/t2*13-;11-;;6-;;;;;;/m111.1....../s1
• InChIKey: FHWQUYAJWHVLGA-AIGAEDBGSA-N
• XLogP: 18.46
• TPSA: 385.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.16
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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 160504200) is carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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.C.C.CC.COC(=O)c1cc(-c2nc(-c3c(C)noc3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(-c2nc(Cl)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c2c1.C[C@@H]1COCCN1c1cc(Cl)nc(Cl)n1.Cc1noc(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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 FHWQUYAJWHVLGA-AIGAEDBGSA-N. The full InChI is InChI=1S/C24H25N5O4.C23H25N5O3.C19H19ClN4O3.C16H20BNO4.C9H11Cl2N3O.C2H6.3CH4.CH3.W/c1-13-12-32-8-7-29(13)21-11-20(22-14(2)28-33-15(22)3)26-23(27-21)18-9-16(24(30)31-4)10-19-17(18)5-6-25-19;1-13-12-30-7-6-28(13)21-10-20(22-14(2)27-31-15(22)3)25-23(26-21)18-8-16(11-29)9-19-17(18)4-5-24-19;1-11-10-27-6-5-24(11)17-9-16(20)22-18(23-17)14-7-12(19(25)26-2)8-15-13(14)3-4-21-15;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;1-6-5-15-3-2-14(6)8-4-7(10)12-9(11)13-8;1-2;;;;;/h5-6,9-11,13,25H,7-8,12H2,1-4H3;4-5,8-10,13,24,29H,6-7,11-12H2,1-3H3;3-4,7-9,11,21H,5-6,10H2,1-2H3;6-9,18H,1-5H3;4,6H,2-3,5H2,1H3;1-2H3;3*1H4;1H3;/q;;;;;;;;;-1;/t2*13-;11-;;6-;;;;;;/m111.1....../s1.

What are the key properties of carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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 2080.16 g/mol, XLogP of 18.46, 14 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-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 160504200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).