2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten

C84H82BCl2N26O5W- — CID 158957862

About 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten

2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten (PubChem CID 158957862) has the molecular formula C84H82BCl2N26O5W- and a molecular weight of 1801.31 g/mol. Its IUPAC name is 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten.

Molecular Properties

• Compound Name: 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten
• PubChem CID: 158957862
• Molecular Formula: C84H82BCl2N26O5W-
• Molecular Weight: 1801.31 g/mol
• Exact Mass: 1799.59
• IUPAC Name: 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten
• SMILES: CC(C)n1cnnc1-c1cccc(-n2cnc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(Cl)cc2N)n1.Cc1ccc(-c2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc2-n2cnc(C3CC3)c2)cn1.Cc1ccc(B(O)O)cn1.[CH3-].[W]
• InChI: InChI=1S/C30H27N9O.C24H21ClN8O.C23H23ClN8O.C6H8BNO2.CH3.W/c1-18(2)38-17-34-36-29(38)24-5-4-6-28(35-24)39-16-33-25-11-22(21-8-7-19(3)31-13-21)27(12-23(25)30(39)40)37-14-26(32-15-37)20-9-10-20;1-14(2)32-13-28-30-23(32)18-4-3-5-22(29-18)33-12-27-19-9-17(25)21(8-16(19)24(33)34)31-10-20(26-11-31)15-6-7-15;1-13(2)32-12-27-30-22(32)18-4-3-5-21(28-18)29-23(33)15-8-20(16(24)9-17(15)25)31-10-19(26-11-31)14-6-7-14;1-5-2-3-6(4-8-5)7(9)10;;/h4-8,11-18,20H,9-10H2,1-3H3;3-5,8-15H,6-7H2,1-2H3;3-5,8-14H,6-7,25H2,1-2H3,(H,28,29,33);2-4,9-10H,1H3;1H3;/q;;;;-1
• InChIKey: KTOHNQFWFZHQBV-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 375.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.31
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten?

The IUPAC name of 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten (CID 158957862) is 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten.

What is the SMILES notation for 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten?

The canonical SMILES for 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten is CC(C)n1cnnc1-c1cccc(-n2cnc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(Cl)cc2N)n1.Cc1ccc(-c2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc2-n2cnc(C3CC3)c2)cn1.Cc1ccc(B(O)O)cn1.[CH3-].[W].

What is the InChIKey of 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten?

The InChIKey is KTOHNQFWFZHQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O.C24H21ClN8O.C23H23ClN8O.C6H8BNO2.CH3.W/c1-18(2)38-17-34-36-29(38)24-5-4-6-28(35-24)39-16-33-25-11-22(21-8-7-19(3)31-13-21)27(12-23(25)30(39)40)37-14-26(32-15-37)20-9-10-20;1-14(2)32-13-28-30-23(32)18-4-3-5-22(29-18)33-12-27-19-9-17(25)21(8-16(19)24(33)34)31-10-20(26-11-31)15-6-7-15;1-13(2)32-12-27-30-22(32)18-4-3-5-21(28-18)29-23(33)15-8-20(16(24)9-17(15)25)31-10-19(26-11-31)14-6-7-14;1-5-2-3-6(4-8-5)7(9)10;;/h4-8,11-18,20H,9-10H2,1-3H3;3-5,8-15H,6-7H2,1-2H3;3-5,8-14H,6-7,25H2,1-2H3,(H,28,29,33);2-4,9-10H,1H3;1H3;/q;;;;-1;.

What are the key properties of 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten?

2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten has a molecular weight of 1801.31 g/mol, XLogP of 13.38, 18 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-chloro-5-(4-cyclopropylimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;7-chloro-6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-(6-methyl-3-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;(6-methyl-3-pyridinyl)boronic acid;tungsten is sourced from PubChem (CID 158957862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).