2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid

C34H37F3N6O5 — CID 16662391

IUPAC2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)NCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C32H36N6O3.C2HF3O2/c1-20-25(26-17-24(41-3)13-14-27(26)36-20)18-30(39)37-28(10-6-7-15-34-32(40)33-2)31-35-19-29(38-31)23-12-11-21-8-4-5-9-22(21)16-23;3-2(4,5)1(6)7/h4-5,8-9,11-14,16-17,19,28,36H,6-7,10,15,18H2,1-3H3,(H,35,38)(H,37,39)(H2,33,34,40);(H,6,7)/t28-;/m0./s1
InChIKeyUIZVJYBYCPSNHO-JCOPYZAKSA-N
MW666.70 g/mol
LogP6.16
Rot. Bonds11

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 16662391) has the molecular formula C34H37F3N6O5 and a molecular weight of 666.70 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID16662391
Molecular FormulaC34H37F3N6O5
Molecular Weight666.70 g/mol
Exact Mass666.28
IUPAC Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)NCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C32H36N6O3.C2HF3O2/c1-20-25(26-17-24(41-3)13-14-27(26)36-20)18-30(39)37-28(10-6-7-15-34-32(40)33-2)31-35-19-29(38-31)23-12-11-21-8-4-5-9-22(21)16-23;3-2(4,5)1(6)7/h4-5,8-9,11-14,16-17,19,28,36H,6-7,10,15,18H2,1-3H3,(H,35,38)(H,37,39)(H2,33,34,40);(H,6,7)/t28-;/m0./s1
InChIKeyUIZVJYBYCPSNHO-JCOPYZAKSA-N
XLogP6.16
TPSA161.23 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500666.70
LogP ≤ 56.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid (CID 16662391) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)NCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UIZVJYBYCPSNHO-JCOPYZAKSA-N. The full InChI is InChI=1S/C32H36N6O3.C2HF3O2/c1-20-25(26-17-24(41-3)13-14-27(26)36-20)18-30(39)37-28(10-6-7-15-34-32(40)33-2)31-35-19-29(38-31)23-12-11-21-8-4-5-9-22(21)16-23;3-2(4,5)1(6)7/h4-5,8-9,11-14,16-17,19,28,36H,6-7,10,15,18H2,1-3H3,(H,35,38)(H,37,39)(H2,33,34,40);(H,6,7)/t28-;/m0./s1.
What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid?
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 666.70 g/mol, XLogP of 6.16, 11 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 16662391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).