4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C28H20F4N4O3 — CID 59394283

About 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394283) has the molecular formula C28H20F4N4O3 and a molecular weight of 536.49 g/mol. Its IUPAC name is 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
• PubChem CID: 59394283
• Molecular Formula: C28H20F4N4O3
• Molecular Weight: 536.49 g/mol
• Exact Mass: 536.15
• IUPAC Name: 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2c(F)c(Oc3cc(COCc4ccccc4)ncn3)ccc21
• InChI: InChI=1S/C28H20F4N4O3/c29-26-22-11-12-36(27(37)35-20-8-4-7-19(13-20)28(30,31)32)23(22)9-10-24(26)39-25-14-21(33-17-34-25)16-38-15-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H,35,37)
• InChIKey: SEYUCECEUVEQQZ-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.49
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The IUPAC name of 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394283) is 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

What is the SMILES notation for 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The canonical SMILES for 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2c(F)c(Oc3cc(COCc4ccccc4)ncn3)ccc21.

What is the InChIKey of 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The InChIKey is SEYUCECEUVEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N4O3/c29-26-22-11-12-36(27(37)35-20-8-4-7-19(13-20)28(30,31)32)23(22)9-10-24(26)39-25-14-21(33-17-34-25)16-38-15-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H,35,37).

What are the key properties of 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 536.49 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).