carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten

C53H61N16O4SW- — CID 159681364

About carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten

carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten (PubChem CID 159681364) has the molecular formula C53H61N16O4SW- and a molecular weight of 1202.09 g/mol. Its IUPAC name is carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten.

Molecular Properties

• Compound Name: carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
• PubChem CID: 159681364
• Molecular Formula: C53H61N16O4SW-
• Molecular Weight: 1202.09 g/mol
• Exact Mass: 1201.43
• IUPAC Name: carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
• SMILES: C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(-c5c(C)nnn5C5CC5)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1nnn(C2CC2)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.[CH3-].[W]
• InChI: InChI=1S/C29H30N8O3S.C22H24N8O.CH4.CH3.W/c1-18-4-8-22(9-5-18)41(38,39)36-13-11-24-23(10-12-30-29(24)36)28-31-25(27-20(3)33-34-37(27)21-6-7-21)16-26(32-28)35-14-15-40-17-19(35)2;1-13-12-31-10-9-29(13)19-11-18(20-14(2)27-28-30(20)15-3-4-15)25-22(26-19)17-6-8-24-21-16(17)5-7-23-21;;;/h4-5,8-13,16,19,21H,6-7,14-15,17H2,1-3H3;5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H,23,24);1H4;1H3;/q;;;-1;/t19-;13-;;;/m11.../s1
• InChIKey: JLJZNJGQXURIJH-MBEFOOCNSA-N
• XLogP: 8.40
• TPSA: 218.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.09
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

The IUPAC name of carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten (CID 159681364) is carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten.

What is the SMILES notation for carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

The canonical SMILES for carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten is C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(-c5c(C)nnn5C5CC5)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1nnn(C2CC2)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

The InChIKey is JLJZNJGQXURIJH-MBEFOOCNSA-N. The full InChI is InChI=1S/C29H30N8O3S.C22H24N8O.CH4.CH3.W/c1-18-4-8-22(9-5-18)41(38,39)36-13-11-24-23(10-12-30-29(24)36)28-31-25(27-20(3)33-34-37(27)21-6-7-21)16-26(32-28)35-14-15-40-17-19(35)2;1-13-12-31-10-9-29(13)19-11-18(20-14(2)27-28-30(20)15-3-4-15)25-22(26-19)17-6-8-24-21-16(17)5-7-23-21;;;/h4-5,8-13,16,19,21H,6-7,14-15,17H2,1-3H3;5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H,23,24);1H4;1H3;/q;;;-1;/t19-;13-;;;/m11.../s1.

What are the key properties of carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten?

carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten has a molecular weight of 1202.09 g/mol, XLogP of 8.40, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten is sourced from PubChem (CID 159681364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).