5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide

C27H19F3N6O3 — CID 151558581

About 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 151558581) has the molecular formula C27H19F3N6O3 and a molecular weight of 532.48 g/mol. Its IUPAC name is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide
• PubChem CID: 151558581
• Molecular Formula: C27H19F3N6O3
• Molecular Weight: 532.48 g/mol
• Exact Mass: 532.15
• IUPAC Name: 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide
• SMILES: CC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(-c4cccnc4)c(C(F)(F)F)c3)c2)ncn1
• InChI: InChI=1S/C27H19F3N6O3/c1-16(37)34-24-13-25(33-15-32-24)39-20-5-7-23-17(11-20)8-10-36(23)26(38)35-19-4-6-21(18-3-2-9-31-14-18)22(12-19)27(28,29)30/h2-15H,1H3,(H,35,38)(H,32,33,34,37)
• InChIKey: QBZUWKWRXFOPLF-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 111.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.48
LogP ≤ 5	6.34
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-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The IUPAC name of 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 151558581) is 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide.

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

The canonical SMILES for 5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(-c4cccnc4)c(C(F)(F)F)c3)c2)ncn1.

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

The InChIKey is QBZUWKWRXFOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N6O3/c1-16(37)34-24-13-25(33-15-32-24)39-20-5-7-23-17(11-20)8-10-36(23)26(38)35-19-4-6-21(18-3-2-9-31-14-18)22(12-19)27(28,29)30/h2-15H,1H3,(H,35,38)(H,32,33,34,37).

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

5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 532.48 g/mol, XLogP of 6.34, 5 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-pyridin-3-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 151558581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).