2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H16F3N7O3 — CID 168984034

About 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 168984034) has the molecular formula C18H16F3N7O3 and a molecular weight of 435.37 g/mol. Its IUPAC name is 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 168984034
• Molecular Formula: C18H16F3N7O3
• Molecular Weight: 435.37 g/mol
• Exact Mass: 435.13
• IUPAC Name: 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CN1C(=O)N(CC(N)=O)C(=O)/C1=C/n1cnc(-c2cc(C3CC3)nc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C18H16F3N7O3/c1-26-12(16(30)28(17(26)31)7-14(22)29)6-27-8-23-15(25-27)10-4-11(9-2-3-9)24-13(5-10)18(19,20)21/h4-6,8-9H,2-3,7H2,1H3,(H2,22,29)/b12-6-
• InChIKey: IRVWEEREIRSSDC-SDQBBNPISA-N
• XLogP: 1.41
• TPSA: 127.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.37
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 168984034) is 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CN1C(=O)N(CC(N)=O)C(=O)/C1=C/n1cnc(-c2cc(C3CC3)nc(C(F)(F)F)c2)n1.

What is the InChIKey of 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is IRVWEEREIRSSDC-SDQBBNPISA-N. The full InChI is InChI=1S/C18H16F3N7O3/c1-26-12(16(30)28(17(26)31)7-14(22)29)6-27-8-23-15(25-27)10-4-11(9-2-3-9)24-13(5-10)18(19,20)21/h4-6,8-9H,2-3,7H2,1H3,(H2,22,29)/b12-6-.

What are the key properties of 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 435.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4Z)-4-[[3-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 168984034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).