1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one

C30H35F3N4O3Si — CID 123609762

IUPAC1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1n1ccc(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c21
InChIInChI=1S/C30H35F3N4O3Si/c1-20-8-11-35(29(39)21-6-5-7-22(16-21)30(31,32)33)18-25(20)37-13-10-26(38)24-17-34-28-23(27(24)37)9-12-36(28)19-40-14-15-41(2,3)4/h5-7,9-10,12-13,16-17,20,25H,8,11,14-15,18-19H2,1-4H3/t20-,25+/m1/s1
InChIKeyBLYZLKPTRXQUPL-NLFFAJNJSA-N
MW584.72 g/mol
LogP6.41
Rot. Bonds7

About 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one

1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one (PubChem CID 123609762) has the molecular formula C30H35F3N4O3Si and a molecular weight of 584.72 g/mol. Its IUPAC name is 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
PubChem CID123609762
Molecular FormulaC30H35F3N4O3Si
Molecular Weight584.72 g/mol
Exact Mass584.24
IUPAC Name1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1n1ccc(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c21
InChIInChI=1S/C30H35F3N4O3Si/c1-20-8-11-35(29(39)21-6-5-7-22(16-21)30(31,32)33)18-25(20)37-13-10-26(38)24-17-34-28-23(27(24)37)9-12-36(28)19-40-14-15-41(2,3)4/h5-7,9-10,12-13,16-17,20,25H,8,11,14-15,18-19H2,1-4H3/t20-,25+/m1/s1
InChIKeyBLYZLKPTRXQUPL-NLFFAJNJSA-N
XLogP6.41
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one 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 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The IUPAC name of 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one (CID 123609762) is 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one.
What is the SMILES notation for 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The canonical SMILES for 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one is C[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1n1ccc(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c21.
What is the InChIKey of 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The InChIKey is BLYZLKPTRXQUPL-NLFFAJNJSA-N. The full InChI is InChI=1S/C30H35F3N4O3Si/c1-20-8-11-35(29(39)21-6-5-7-22(16-21)30(31,32)33)18-25(20)37-13-10-26(38)24-17-34-28-23(27(24)37)9-12-36(28)19-40-14-15-41(2,3)4/h5-7,9-10,12-13,16-17,20,25H,8,11,14-15,18-19H2,1-4H3/t20-,25+/m1/s1.
What are the key properties of 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?
1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one has a molecular weight of 584.72 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-methyl-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one is sourced from PubChem (CID 123609762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).