carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 — IUPAC name, SMILES, InChIKey & properties

Name: carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 159775916) has the molecular formula C83H109BClN18O10W- and a molecular weight of 1749.01 g/mol. Its IUPAC name is carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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	159775916
Molecular Formula	C83H109BClN18O10W-
Molecular Weight	1749.01 g/mol
Exact Mass	1747.79
IUPAC Name	carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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)cnn3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c2c1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.[CH3-].[W]
InChI	InChI=1S/C24H26N6O3.C23H26N6O2.C16H20BNO4.C14H18ClN5O.2C2H6.CH4.CH3.W/c1-14-12-26-29(3)22(14)20-11-21(30-7-8-33-13-15(30)2)28-23(27-20)18-9-16(24(31)32-4)10-19-17(18)5-6-25-19;1-14-11-25-28(3)22(14)20-10-21(29-6-7-31-13-15(29)2)27-23(26-20)18-8-16(12-30)9-19-17(18)4-5-24-19;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;1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2;21-2;;;/h5-6,9-12,15,25H,7-8,13H2,1-4H3;4-5,8-11,15,24,30H,6-7,12-13H2,1-3H3;6-9,18H,1-5H3;6-7,10H,4-5,8H2,1-3H3;21-2H3;1H4;1H3;/q;;;;;;;-1;/t2*15-;;10-;;;;;/m11.1...../s1
InChIKey	VFEAOXPSEGFLBB-ULFCTPDMSA-N
XLogP	13.85
TPSA	306.87 Å²
H-Bond Donors	4
H-Bond Acceptors	25
Rotatable Bonds	12
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.01
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Analyze carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 159775916) is carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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)cnn3C)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c2c1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(Cl)n1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 VFEAOXPSEGFLBB-ULFCTPDMSA-N. The full InChI is InChI=1S/C24H26N6O3.C23H26N6O2.C16H20BNO4.C14H18ClN5O.2C2H6.CH4.CH3.W/c1-14-12-26-29(3)22(14)20-11-21(30-7-8-33-13-15(30)2)28-23(27-20)18-9-16(24(31)32-4)10-19-17(18)5-6-25-19;1-14-11-25-28(3)22(14)20-10-21(29-6-7-31-13-15(29)2)27-23(26-20)18-8-16(12-30)9-19-17(18)4-5-24-19;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;1-9-7-16-19(3)13(9)11-6-12(18-14(15)17-11)20-4-5-21-8-10(20)2;2*1-2;;;/h5-6,9-12,15,25H,7-8,13H2,1-4H3;4-5,8-11,15,24,30H,6-7,12-13H2,1-3H3;6-9,18H,1-5H3;6-7,10H,4-5,8H2,1-3H3;2*1-2H3;1H4;1H3;/q;;;;;;;-1;/t2*15-;;10-;;;;;/m11.1...../s1.

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

Where does this data come from?

All data for carbanide;(3R)-4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-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 159775916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).