6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C24H22F4N6O3S — CID 66731315

About 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 66731315) has the molecular formula C24H22F4N6O3S and a molecular weight of 550.54 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
• PubChem CID: 66731315
• Molecular Formula: C24H22F4N6O3S
• Molecular Weight: 550.54 g/mol
• Exact Mass: 550.14
• IUPAC Name: 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
• SMILES: CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnc(C)n1
• InChI: InChI=1S/C24H22F4N6O3S/c1-4-14-9-19-16(10-17(14)25)21(23(29)35)22(34(19)20-7-8-30-13(3)32-20)18-6-5-15(11-31-18)38(36,37)33-12(2)24(26,27)28/h5-12,33H,4H2,1-3H3,(H2,29,35)/t12-/m0/s1
• InChIKey: GERQMJYQQFNTFC-LBPRGKRZSA-N
• XLogP: 3.82
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.54
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The IUPAC name of 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 66731315) is 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

What is the SMILES notation for 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The canonical SMILES for 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnc(C)n1.

What is the InChIKey of 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The InChIKey is GERQMJYQQFNTFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C24H22F4N6O3S/c1-4-14-9-19-16(10-17(14)25)21(23(29)35)22(34(19)20-7-8-30-13(3)32-20)18-6-5-15(11-31-18)38(36,37)33-12(2)24(26,27)28/h5-12,33H,4H2,1-3H3,(H2,29,35)/t12-/m0/s1.

What are the key properties of 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 550.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 66731315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).