N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide

C30H31F3N6O3 — CID 130449191

About N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide

N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 130449191) has the molecular formula C30H31F3N6O3 and a molecular weight of 580.61 g/mol. Its IUPAC name is N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 130449191
• Molecular Formula: C30H31F3N6O3
• Molecular Weight: 580.61 g/mol
• Exact Mass: 580.24
• IUPAC Name: N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
• SMILES: CCn1ccnc1CN1CCc2c(-c3cccc(OC(F)(F)F)c3)ccc(CNC(=O)C3CC3c3nc(C)no3)c2C1
• InChI: InChI=1S/C30H31F3N6O3/c1-3-39-12-10-34-27(39)17-38-11-9-23-22(19-5-4-6-21(13-19)41-30(31,32)33)8-7-20(26(23)16-38)15-35-28(40)24-14-25(24)29-36-18(2)37-42-29/h4-8,10,12-13,24-25H,3,9,11,14-17H2,1-2H3,(H,35,40)
• InChIKey: GWXFVYWJOMXBEE-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.61
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (CID 130449191) is N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is CCn1ccnc1CN1CCc2c(-c3cccc(OC(F)(F)F)c3)ccc(CNC(=O)C3CC3c3nc(C)no3)c2C1.

What is the InChIKey of N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is GWXFVYWJOMXBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O3/c1-3-39-12-10-34-27(39)17-38-11-9-23-22(19-5-4-6-21(13-19)41-30(31,32)33)8-7-20(26(23)16-38)15-35-28(40)24-14-25(24)29-36-18(2)37-42-29/h4-8,10,12-13,24-25H,3,9,11,14-17H2,1-2H3,(H,35,40).

What are the key properties of N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 580.61 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(1-ethylimidazol-2-yl)methyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130449191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).