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

C49H47F6N16O2W- — CID 157172298

IUPAC2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten
SMILESC.Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3CC(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nncn4CC(F)(F)F)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W]
InChIInChI=1S/C24H19F3N8O.C23H21F3N8O.CH4.CH3.W/c1-14-7-18-16(8-20(14)33-9-19(28-11-33)15-5-6-15)23(36)35(12-29-18)21-4-2-3-17(31-21)22-32-30-13-34(22)10-24(25,26)27;1-13-7-16(27)15(8-19(13)33-9-18(28-11-33)14-5-6-14)22(35)31-20-4-2-3-17(30-20)21-32-29-12-34(21)10-23(24,25)26;;;/h2-4,7-9,11-13,15H,5-6,10H2,1H3;2-4,7-9,11-12,14H,5-6,10,27H2,1H3,(H,30,31,35);1H4;1H3;/q;;;-1;
InChIKeyKMVHZVLVMOBUKW-UHFFFAOYSA-N
MW1189.85 g/mol
LogP9.17
Rot. Bonds11

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

2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten (PubChem CID 157172298) has the molecular formula C49H47F6N16O2W- and a molecular weight of 1189.85 g/mol. Its IUPAC name is 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten.

Molecular Properties

Compound Name2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten
PubChem CID157172298
Molecular FormulaC49H47F6N16O2W-
Molecular Weight1189.85 g/mol
Exact Mass1189.35
IUPAC Name2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten
SMILESC.Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3CC(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nncn4CC(F)(F)F)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W]
InChIInChI=1S/C24H19F3N8O.C23H21F3N8O.CH4.CH3.W/c1-14-7-18-16(8-20(14)33-9-19(28-11-33)15-5-6-15)23(36)35(12-29-18)21-4-2-3-17(31-21)22-32-30-13-34(22)10-24(25,26)27;1-13-7-16(27)15(8-19(13)33-9-18(28-11-33)14-5-6-14)22(35)31-20-4-2-3-17(30-20)21-32-29-12-34(21)10-23(24,25)26;;;/h2-4,7-9,11-13,15H,5-6,10H2,1H3;2-4,7-9,11-12,14H,5-6,10,27H2,1H3,(H,30,31,35);1H4;1H3;/q;;;-1;
InChIKeyKMVHZVLVMOBUKW-UHFFFAOYSA-N
XLogP9.17
TPSA212.85 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.85
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten?
The IUPAC name of 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten (CID 157172298) is 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten.
What is the SMILES notation for 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten?
The canonical SMILES for 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten is C.Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3CC(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nncn4CC(F)(F)F)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.[CH3-].[W].
What is the InChIKey of 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten?
The InChIKey is KMVHZVLVMOBUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O.C23H21F3N8O.CH4.CH3.W/c1-14-7-18-16(8-20(14)33-9-19(28-11-33)15-5-6-15)23(36)35(12-29-18)21-4-2-3-17(31-21)22-32-30-13-34(22)10-24(25,26)27;1-13-7-16(27)15(8-19(13)33-9-18(28-11-33)14-5-6-14)22(35)31-20-4-2-3-17(30-20)21-32-29-12-34(21)10-23(24,25)26;;;/h2-4,7-9,11-13,15H,5-6,10H2,1H3;2-4,7-9,11-12,14H,5-6,10,27H2,1H3,(H,30,31,35);1H4;1H3;/q;;;-1;.
What are the key properties of 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten?
2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten has a molecular weight of 1189.85 g/mol, XLogP of 9.17, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-cyclopropylimidazol-1-yl)-4-methyl-N-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]quinazolin-4-one;methane;tungsten is sourced from PubChem (CID 157172298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).