trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

C20H19F3N4O2 — CID 146460768

About trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 146460768) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 146460768
• Molecular Formula: C20H19F3N4O2
• Molecular Weight: 404.39 g/mol
• Exact Mass: 404.15
• IUPAC Name: trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: CC(NC(=O)[C@@H]1C[C@H]1c1cccc2[nH]ccc12)c1cnc(OCC(F)(F)F)cn1
• InChI: InChI=1S/C20H19F3N4O2/c1-11(17-8-26-18(9-25-17)29-10-20(21,22)23)27-19(28)15-7-14(15)12-3-2-4-16-13(12)5-6-24-16/h2-6,8-9,11,14-15,24H,7,10H2,1H3,(H,27,28)/t11?,14-,15+/m0/s1
• InChIKey: OLBRBFIQNPRLNS-YUIIUQSRSA-N
• XLogP: 3.88
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.39
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 146460768) is trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1c1cccc2[nH]ccc12)c1cnc(OCC(F)(F)F)cn1.

What is the InChIKey of trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is OLBRBFIQNPRLNS-YUIIUQSRSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11(17-8-26-18(9-25-17)29-10-20(21,22)23)27-19(28)15-7-14(15)12-3-2-4-16-13(12)5-6-24-16/h2-6,8-9,11,14-15,24H,7,10H2,1H3,(H,27,28)/t11?,14-,15+/m0/s1.

What are the key properties of trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-(1H-indol-4-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146460768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).