carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten

C56H63N12O8SW- — CID 160673259

About carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten

carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten (PubChem CID 160673259) has the molecular formula C56H63N12O8SW- and a molecular weight of 1248.10 g/mol. Its IUPAC name is carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten.

Molecular Properties

• Compound Name: carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten
• PubChem CID: 160673259
• Molecular Formula: C56H63N12O8SW-
• Molecular Weight: 1248.10 g/mol
• Exact Mass: 1247.41
• IUPAC Name: carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten
• SMILES: C.COC(=O)c1cc(-c2nc(-c3c(C)cnn3C)cc(N3CCOC[C@H]3C)n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1.[CH3-].[W]
• InChI: InChI=1S/C31H32N6O5S.C23H24N6O3.CH4.CH3.W/c1-19-6-8-23(9-7-19)43(39,40)37-11-10-24-25(14-22(15-27(24)37)31(38)41-5)30-33-26(29-20(2)17-32-35(29)4)16-28(34-30)36-12-13-42-18-21(36)3;1-13-11-25-28(3)21(13)19-10-20(29-6-7-32-12-14(29)2)27-22(26-19)17-8-15(23(30)31)9-18-16(17)4-5-24-18;;;/h6-11,14-17,21H,12-13,18H2,1-5H3;4-5,8-11,14,24H,6-7,12H2,1-3H3,(H,30,31);1H4;1H3;/q;;;-1;/t21-;14-;;;/m11.../s1
• InChIKey: TUSWSHGKNUHBML-USIZJDDRSA-N
• XLogP: 8.71
• TPSA: 230.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.10
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten?

The IUPAC name of carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten (CID 160673259) is carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten.

What is the SMILES notation for carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten?

The canonical SMILES for carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten is C.COC(=O)c1cc(-c2nc(-c3c(C)cnn3C)cc(N3CCOC[C@H]3C)n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1.[CH3-].[W].

What is the InChIKey of carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten?

The InChIKey is TUSWSHGKNUHBML-USIZJDDRSA-N. The full InChI is InChI=1S/C31H32N6O5S.C23H24N6O3.CH4.CH3.W/c1-19-6-8-23(9-7-19)43(39,40)37-11-10-24-25(14-22(15-27(24)37)31(38)41-5)30-33-26(29-20(2)17-32-35(29)4)16-28(34-30)36-12-13-42-18-21(36)3;1-13-11-25-28(3)21(13)19-10-20(29-6-7-32-12-14(29)2)27-22(26-19)17-8-15(23(30)31)9-18-16(17)4-5-24-18;;;/h6-11,14-17,21H,12-13,18H2,1-5H3;4-5,8-11,14,24H,6-7,12H2,1-3H3,(H,30,31);1H4;1H3;/q;;;-1;/t21-;14-;;;/m11.../s1.

What are the key properties of carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten?

carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten has a molecular weight of 1248.10 g/mol, XLogP of 8.71, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten is sourced from PubChem (CID 160673259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).