2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide

C21H20F3N3O2 — CID 77260488

IUPAC2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1c1cccc2[nH]ccc12)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H20F3N3O2/c1-12(13-5-6-19(26-10-13)29-11-21(22,23)24)27-20(28)17-9-16(17)14-3-2-4-18-15(14)7-8-25-18/h2-8,10,12,16-17,25H,9,11H2,1H3,(H,27,28)
InChIKeyHVALANNCYJSHTO-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.48
Rot. Bonds6

About 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide

2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 77260488) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
PubChem CID77260488
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1c1cccc2[nH]ccc12)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H20F3N3O2/c1-12(13-5-6-19(26-10-13)29-11-21(22,23)24)27-20(28)17-9-16(17)14-3-2-4-18-15(14)7-8-25-18/h2-8,10,12,16-17,25H,9,11H2,1H3,(H,27,28)
InChIKeyHVALANNCYJSHTO-UHFFFAOYSA-N
XLogP4.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide (CID 77260488) is 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1CC1c1cccc2[nH]ccc12)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is HVALANNCYJSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-12(13-5-6-19(26-10-13)29-11-21(22,23)24)27-20(28)17-9-16(17)14-3-2-4-18-15(14)7-8-25-18/h2-8,10,12,16-17,25H,9,11H2,1H3,(H,27,28).
What are the key properties of 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?
2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 77260488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).