5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C24H21F4N5O2 — CID 59394375

About 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394375) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
• PubChem CID: 59394375
• Molecular Formula: C24H21F4N5O2
• Molecular Weight: 487.46 g/mol
• Exact Mass: 487.16
• IUPAC Name: 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
• SMILES: Cc1cc2c(F)c(Oc3cc(CN(C)C)ncn3)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H21F4N5O2/c1-14-9-18-19(33(14)23(34)31-16-6-4-5-15(10-16)24(26,27)28)7-8-20(22(18)25)35-21-11-17(12-32(2)3)29-13-30-21/h4-11,13H,12H2,1-3H3,(H,31,34)
• InChIKey: MECBPMGSJDQBCI-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.46
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The IUPAC name of 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394375) is 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

What is the SMILES notation for 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The canonical SMILES for 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is Cc1cc2c(F)c(Oc3cc(CN(C)C)ncn3)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The InChIKey is MECBPMGSJDQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-14-9-18-19(33(14)23(34)31-16-6-4-5-15(10-16)24(26,27)28)7-8-20(22(18)25)35-21-11-17(12-32(2)3)29-13-30-21/h4-11,13H,12H2,1-3H3,(H,31,34).

What are the key properties of 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 487.46 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-4-fluoro-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).