5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C28H29F3N6O4 — CID 59596417

About 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 59596417) has the molecular formula C28H29F3N6O4 and a molecular weight of 570.57 g/mol. Its IUPAC name is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
• PubChem CID: 59596417
• Molecular Formula: C28H29F3N6O4
• Molecular Weight: 570.57 g/mol
• Exact Mass: 570.22
• IUPAC Name: 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
• SMILES: CC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(OC3CCN(C)CC3)c(C(F)(F)F)c2)ncn1
• InChI: InChI=1S/C28H29F3N6O4/c1-17(38)34-25-15-26(33-16-32-25)41-21-4-5-23-18(13-21)7-12-37(23)27(39)35-19-3-6-24(22(14-19)28(29,30)31)40-20-8-10-36(2)11-9-20/h3-6,13-16,20H,7-12H2,1-2H3,(H,35,39)(H,32,33,34,38)
• InChIKey: UVBNPQQBCHTTMK-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.57
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?

The IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 59596417) is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2ccc(OC3CCN(C)CC3)c(C(F)(F)F)c2)ncn1.

What is the InChIKey of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?

The InChIKey is UVBNPQQBCHTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O4/c1-17(38)34-25-15-26(33-16-32-25)41-21-4-5-23-18(13-21)7-12-37(23)27(39)35-19-3-6-24(22(14-19)28(29,30)31)40-20-8-10-36(2)11-9-20/h3-6,13-16,20H,7-12H2,1-2H3,(H,35,39)(H,32,33,34,38).

What are the key properties of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?

5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 570.57 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 59596417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).