carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten

C89H110BClN21O12S2W- — CID 158053522

About carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten

carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten (PubChem CID 158053522) has the molecular formula C89H110BClN21O12S2W- and a molecular weight of 1960.23 g/mol. Its IUPAC name is carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten.

Molecular Properties

• Compound Name: carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten
• PubChem CID: 158053522
• Molecular Formula: C89H110BClN21O12S2W-
• Molecular Weight: 1960.23 g/mol
• Exact Mass: 1958.74
• IUPAC Name: carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten
• SMILES: C.C.COCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.COCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.COCc1cnn(C)c1B1OC(C)(C)C(C)(C)O1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C29H31N7O4S.C23H22ClN5O3S.C22H25N7O2.C12H21BN2O3.2CH4.CH3.W/c1-19-5-7-22(8-6-19)41(37,38)36-12-10-24-23(9-11-30-29(24)36)28-32-25(27-21(18-39-4)16-31-34(27)3)15-26(33-28)35-13-14-40-17-20(35)2;1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2;1-14-12-31-9-8-29(14)19-10-18(20-15(13-30-3)11-25-28(20)2)26-22(27-19)17-5-7-24-21-16(17)4-6-23-21;1-11(2)12(3,4)18-13(17-11)10-9(8-16-6)7-14-15(10)5;;;;/h5-12,15-16,20H,13-14,17-18H2,1-4H3;3-10,13,16H,11-12,14H2,1-2H3;4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,24);7H,8H2,1-6H3;2*1H4;1H3;/q;;;;;;-1;/t20-;16-;14-;;;;;/m111...../s1
• InChIKey: OPPOFLQKWKBGBL-GREAOSEKSA-N
• XLogP: 13.11
• TPSA: 346.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.23
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

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-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?

The IUPAC name of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten (CID 158053522) is carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten.

What is the SMILES notation for carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?

The canonical SMILES for carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten is C.C.COCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.COCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.COCc1cnn(C)c1B1OC(C)(C)C(C)(C)O1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?

The InChIKey is OPPOFLQKWKBGBL-GREAOSEKSA-N. The full InChI is InChI=1S/C29H31N7O4S.C23H22ClN5O3S.C22H25N7O2.C12H21BN2O3.2CH4.CH3.W/c1-19-5-7-22(8-6-19)41(37,38)36-12-10-24-23(9-11-30-29(24)36)28-32-25(27-21(18-39-4)16-31-34(27)3)15-26(33-28)35-13-14-40-17-20(35)2;1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2;1-14-12-31-9-8-29(14)19-10-18(20-15(13-30-3)11-25-28(20)2)26-22(27-19)17-5-7-24-21-16(17)4-6-23-21;1-11(2)12(3,4)18-13(17-11)10-9(8-16-6)7-14-15(10)5;;;;/h5-12,15-16,20H,13-14,17-18H2,1-4H3;3-10,13,16H,11-12,14H2,1-2H3;4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,24);7H,8H2,1-6H3;2*1H4;1H3;/q;;;;;;-1;/t20-;16-;14-;;;;;/m111...../s1.

What are the key properties of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten?

carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten has a molecular weight of 1960.23 g/mol, XLogP of 13.11, 19 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[4-(methoxymethyl)-1-methylpyrazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;4-(methoxymethyl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;tungsten is sourced from PubChem (CID 158053522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).