cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide

C22H22F3N3O2 — CID 146275063

About cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 146275063) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 146275063
• Molecular Formula: C22H22F3N3O2
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.17
• IUPAC Name: cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
• SMILES: CC(NC(=O)[C@@H]1C[C@H]1Cn1ccc2ccccc21)c1ccc(OCC(F)(F)F)cn1
• InChI: InChI=1S/C22H22F3N3O2/c1-14(19-7-6-17(11-26-19)30-13-22(23,24)25)27-21(29)18-10-16(18)12-28-9-8-15-4-2-3-5-20(15)28/h2-9,11,14,16,18H,10,12-13H2,1H3,(H,27,29)/t14?,16-,18+/m0/s1
• InChIKey: WHMUUYACSCEAOO-RNYWFIABSA-N
• XLogP: 4.49
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide (CID 146275063) is cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1Cn1ccc2ccccc21)c1ccc(OCC(F)(F)F)cn1.

What is the InChIKey of cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is WHMUUYACSCEAOO-RNYWFIABSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-14(19-7-6-17(11-26-19)30-13-22(23,24)25)27-21(29)18-10-16(18)12-28-9-8-15-4-2-3-5-20(15)28/h2-9,11,14,16,18H,10,12-13H2,1H3,(H,27,29)/t14?,16-,18+/m0/s1.

What are the key properties of cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide?

cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-2-(indol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146275063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).