6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide

C26H24F4N4O4S — CID 70369893

IUPAC6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(OC)c1
InChIInChI=1S/C26H24F4N4O4S/c1-4-15-10-22-19(12-20(15)27)23(25(31)35)24(34(22)16-6-5-7-17(11-16)38-3)21-9-8-18(13-32-21)39(36,37)33-14(2)26(28,29)30/h5-14,33H,4H2,1-3H3,(H2,31,35)
InChIKeyXKQGJJNUWNBOBX-UHFFFAOYSA-N
MW564.56 g/mol
LogP4.73
Rot. Bonds8

About 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide

6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide (PubChem CID 70369893) has the molecular formula C26H24F4N4O4S and a molecular weight of 564.56 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide
PubChem CID70369893
Molecular FormulaC26H24F4N4O4S
Molecular Weight564.56 g/mol
Exact Mass564.15
IUPAC Name6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(OC)c1
InChIInChI=1S/C26H24F4N4O4S/c1-4-15-10-22-19(12-20(15)27)23(25(31)35)24(34(22)16-6-5-7-17(11-16)38-3)21-9-8-18(13-32-21)39(36,37)33-14(2)26(28,29)30/h5-14,33H,4H2,1-3H3,(H2,31,35)
InChIKeyXKQGJJNUWNBOBX-UHFFFAOYSA-N
XLogP4.73
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide (CID 70369893) is 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide is CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(OC)c1.
What is the InChIKey of 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
The InChIKey is XKQGJJNUWNBOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O4S/c1-4-15-10-22-19(12-20(15)27)23(25(31)35)24(34(22)16-6-5-7-17(11-16)38-3)21-9-8-18(13-32-21)39(36,37)33-14(2)26(28,29)30/h5-14,33H,4H2,1-3H3,(H2,31,35).
What are the key properties of 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide has a molecular weight of 564.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-1-(3-methoxyphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 70369893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).