3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C32H27F4N7O4 — CID 137256153

About 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 137256153) has the molecular formula C32H27F4N7O4 and a molecular weight of 649.61 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• PubChem CID: 137256153
• Molecular Formula: C32H27F4N7O4
• Molecular Weight: 649.61 g/mol
• Exact Mass: 649.21
• IUPAC Name: 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• SMILES: [H]/N=C/C=C1\NC=C(c2cn(C)cn2)C=C1Oc1ccc(NC(=O)c2cn(C(C)C)c(=O)n(-c3ccc(F)cc3)c2=O)cc1C(F)(F)F
• InChI: InChI=1S/C32H27F4N7O4/c1-18(2)42-15-23(30(45)43(31(42)46)22-7-4-20(33)5-8-22)29(44)40-21-6-9-27(24(13-21)32(34,35)36)47-28-12-19(14-38-25(28)10-11-37)26-16-41(3)17-39-26/h4-18,37-38H,1-3H3,(H,40,44)/b25-10-,37-11+
• InChIKey: ZTCBCABLLCWZDL-GQVYPDEBSA-N
• XLogP: 5.16
• TPSA: 136.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.61
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The IUPAC name of 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 137256153) is 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The canonical SMILES for 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is [H]/N=C/C=C1\NC=C(c2cn(C)cn2)C=C1Oc1ccc(NC(=O)c2cn(C(C)C)c(=O)n(-c3ccc(F)cc3)c2=O)cc1C(F)(F)F.

What is the InChIKey of 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The InChIKey is ZTCBCABLLCWZDL-GQVYPDEBSA-N. The full InChI is InChI=1S/C32H27F4N7O4/c1-18(2)42-15-23(30(45)43(31(42)46)22-7-4-20(33)5-8-22)29(44)40-21-6-9-27(24(13-21)32(34,35)36)47-28-12-19(14-38-25(28)10-11-37)26-16-41(3)17-39-26/h4-18,37-38H,1-3H3,(H,40,44)/b25-10-,37-11+.

What are the key properties of 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 649.61 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-N-[4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]-3-(trifluoromethyl)phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 137256153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).