5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide

C18H15F4N3O2 — CID 67289264

IUPAC5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H15F4N3O2/c1-10(14-5-3-13(8-23-14)27-9-18(20,21)22)24-17(26)16-7-11-6-12(19)2-4-15(11)25-16/h2-8,10,25H,9H2,1H3,(H,24,26)/t10-/m1/s1
InChIKeyWTRIPEOXJHYDAY-SNVBAGLBSA-N
MW381.33 g/mol
LogP4.13
Rot. Bonds5

About 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide

5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 67289264) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
PubChem CID67289264
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H15F4N3O2/c1-10(14-5-3-13(8-23-14)27-9-18(20,21)22)24-17(26)16-7-11-6-12(19)2-4-15(11)25-16/h2-8,10,25H,9H2,1H3,(H,24,26)/t10-/m1/s1
InChIKeyWTRIPEOXJHYDAY-SNVBAGLBSA-N
XLogP4.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide (CID 67289264) is 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is WTRIPEOXJHYDAY-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c1-10(14-5-3-13(8-23-14)27-9-18(20,21)22)24-17(26)16-7-11-6-12(19)2-4-15(11)25-16/h2-8,10,25H,9H2,1H3,(H,24,26)/t10-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 381.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67289264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).