3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide

C23H24F3N7O2 — CID 170980349

About 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide

3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide (PubChem CID 170980349) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide
• PubChem CID: 170980349
• Molecular Formula: C23H24F3N7O2
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.19
• IUPAC Name: 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide
• SMILES: CC/C(=N\c1cnn(C(C)C)c1)c1c(O)[nH]c2ccc(C(=O)Nc3cnn(CC(F)(F)F)c3)cc12
• InChI: InChI=1S/C23H24F3N7O2/c1-4-18(29-16-9-28-33(11-16)13(2)3)20-17-7-14(5-6-19(17)31-22(20)35)21(34)30-15-8-27-32(10-15)12-23(24,25)26/h5-11,13,31,35H,4,12H2,1-3H3,(H,30,34)/b29-18+
• InChIKey: DHHOOWSOPKLEGZ-RDRPBHBLSA-N
• XLogP: 5.19
• TPSA: 113.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide?

The IUPAC name of 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide (CID 170980349) is 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide.

What is the SMILES notation for 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide?

The canonical SMILES for 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide is CC/C(=N\c1cnn(C(C)C)c1)c1c(O)[nH]c2ccc(C(=O)Nc3cnn(CC(F)(F)F)c3)cc12.

What is the InChIKey of 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide?

The InChIKey is DHHOOWSOPKLEGZ-RDRPBHBLSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-4-18(29-16-9-28-33(11-16)13(2)3)20-17-7-14(5-6-19(17)31-22(20)35)21(34)30-15-8-27-32(10-15)12-23(24,25)26/h5-11,13,31,35H,4,12H2,1-3H3,(H,30,34)/b29-18+.

What are the key properties of 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide?

3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 170980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).