6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C24H22F4N6O3S — CID 66731196

IUPAC6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cn1)n2-c1ncccn1
InChIInChI=1S/C24H22F4N6O3S/c1-4-13-10-18-15(11-16(13)25)19(21(29)35)20(34(18)22-30-8-5-9-31-22)17-7-6-14(12-32-17)38(36,37)33-23(2,3)24(26,27)28/h5-12,33H,4H2,1-3H3,(H2,29,35)
InChIKeyCWIKTLAJSYGVCA-UHFFFAOYSA-N
MW550.54 g/mol
LogP3.90
Rot. Bonds7

About 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide

6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 66731196) has the molecular formula C24H22F4N6O3S and a molecular weight of 550.54 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide
PubChem CID66731196
Molecular FormulaC24H22F4N6O3S
Molecular Weight550.54 g/mol
Exact Mass550.14
IUPAC Name6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cn1)n2-c1ncccn1
InChIInChI=1S/C24H22F4N6O3S/c1-4-13-10-18-15(11-16(13)25)19(21(29)35)20(34(18)22-30-8-5-9-31-22)17-7-6-14(12-32-17)38(36,37)33-23(2,3)24(26,27)28/h5-12,33H,4H2,1-3H3,(H2,29,35)
InChIKeyCWIKTLAJSYGVCA-UHFFFAOYSA-N
XLogP3.90
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 66731196) is 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide is CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cn1)n2-c1ncccn1.
What is the InChIKey of 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The InChIKey is CWIKTLAJSYGVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6O3S/c1-4-13-10-18-15(11-16(13)25)19(21(29)35)20(34(18)22-30-8-5-9-31-22)17-7-6-14(12-32-17)38(36,37)33-23(2,3)24(26,27)28/h5-12,33H,4H2,1-3H3,(H2,29,35).
What are the key properties of 6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
6-ethyl-5-fluoro-1-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 550.54 g/mol, XLogP of 3.90, 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-pyrimidin-2-yl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 66731196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).