2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten

C114H127FN31O13W- — CID 157269257

About 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten

2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten (PubChem CID 157269257) has the molecular formula C114H127FN31O13W- and a molecular weight of 2342.31 g/mol. Its IUPAC name is 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten.

Molecular Properties

• Compound Name: 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten
• PubChem CID: 157269257
• Molecular Formula: C114H127FN31O13W-
• Molecular Weight: 2342.31 g/mol
• Exact Mass: 2340.97
• IUPAC Name: 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten
• SMILES: COCCOc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.COCCOc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.COCCOc1cc(NCc2ccc(OC)cc2)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.COCCOc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W]
• InChI: InChI=1S/C34H38N8O4.C27H28N8O3.C26H28FN7O3.C26H30N8O3.CH3.W/c1-22(2)42-21-37-40-33(42)27-6-5-7-32(38-27)39-34(43)26-16-30(41-19-29(36-20-41)24-10-11-24)31(46-15-14-44-3)17-28(26)35-18-23-8-12-25(45-4)13-9-23;1-17(2)34-16-30-32-26(34)20-5-4-6-25(31-20)35-15-29-21-12-24(38-10-9-37-3)23(11-19(21)27(35)36)33-13-22(28-14-33)18-7-8-18;2*1-16(2)34-15-29-32-25(34)20-5-4-6-24(30-20)31-26(35)18-11-22(23(12-19(18)27)37-10-9-36-3)33-13-21(28-14-33)17-7-8-17;;/h5-9,12-13,16-17,19-22,24,35H,10-11,14-15,18H2,1-4H3,(H,38,39,43);4-6,11-18H,7-10H2,1-3H3;4-6,11-17H,7-10H2,1-3H3,(H,30,31,35);4-6,11-17H,7-10,27H2,1-3H3,(H,30,31,35);1H3;/q;;;;-1
• InChIKey: AEKKZDLDLRLGBE-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 488.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 43
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2342.31
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten?

The IUPAC name of 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten (CID 157269257) is 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten.

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

The canonical SMILES for 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten is COCCOc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.COCCOc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.COCCOc1cc(NCc2ccc(OC)cc2)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.COCCOc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W].

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

The InChIKey is AEKKZDLDLRLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O4.C27H28N8O3.C26H28FN7O3.C26H30N8O3.CH3.W/c1-22(2)42-21-37-40-33(42)27-6-5-7-32(38-27)39-34(43)26-16-30(41-19-29(36-20-41)24-10-11-24)31(46-15-14-44-3)17-28(26)35-18-23-8-12-25(45-4)13-9-23;1-17(2)34-16-30-32-26(34)20-5-4-6-25(31-20)35-15-29-21-12-24(38-10-9-37-3)23(11-19(21)27(35)36)33-13-22(28-14-33)18-7-8-18;2*1-16(2)34-15-29-32-25(34)20-5-4-6-24(30-20)31-26(35)18-11-22(23(12-19(18)27)37-10-9-36-3)33-13-21(28-14-33)17-7-8-17;;/h5-9,12-13,16-17,19-22,24,35H,10-11,14-15,18H2,1-4H3,(H,38,39,43);4-6,11-18H,7-10H2,1-3H3;4-6,11-17H,7-10H2,1-3H3,(H,30,31,35);4-6,11-17H,7-10,27H2,1-3H3,(H,30,31,35);1H3;/q;;;;-1;.

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

2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten has a molecular weight of 2342.31 g/mol, XLogP of 18.28, 43 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;6-(4-cyclopropylimidazol-1-yl)-7-(2-methoxyethoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten is sourced from PubChem (CID 157269257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).