trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide

C22H22F3N3O2 — CID 146275052

About trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 146275052) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 146275052
• Molecular Formula: C22H22F3N3O2
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.17
• IUPAC Name: trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
• SMILES: CC(NC(=O)[C@@H]1C[C@H]1c1ccc2ccn(C)c2c1)c1ccc(OCC(F)(F)F)nc1
• InChI: InChI=1S/C22H22F3N3O2/c1-13(16-5-6-20(26-11-16)30-12-22(23,24)25)27-21(29)18-10-17(18)15-4-3-14-7-8-28(2)19(14)9-15/h3-9,11,13,17-18H,10,12H2,1-2H3,(H,27,29)/t13?,17-,18+/m0/s1
• InChIKey: LVJMFNGZXMJMNS-UGGKNOJYSA-N
• XLogP: 4.50
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide (CID 146275052) is trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1c1ccc2ccn(C)c2c1)c1ccc(OCC(F)(F)F)nc1.

What is the InChIKey of trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is LVJMFNGZXMJMNS-UGGKNOJYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-13(16-5-6-20(26-11-16)30-12-22(23,24)25)27-21(29)18-10-17(18)15-4-3-14-7-8-28(2)19(14)9-15/h3-9,11,13,17-18H,10,12H2,1-2H3,(H,27,29)/t13?,17-,18+/m0/s1.

What are the key properties of trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide?

trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146275052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).