1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one

C22H31N3O2Si — CID 172801143

IUPAC1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESC[Si](C)(C)CCOCc1cc(=O)c2cnc3[nH]ccc3c2n1C1CCCCC1
InChIInChI=1S/C22H31N3O2Si/c1-28(2,3)12-11-27-15-17-13-20(26)19-14-24-22-18(9-10-23-22)21(19)25(17)16-7-5-4-6-8-16/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3,(H,23,24)
InChIKeyQWMDPSNUFDUKBN-UHFFFAOYSA-N
MW397.60 g/mol
LogP5.24
Rot. Bonds6

About 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one

1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one (PubChem CID 172801143) has the molecular formula C22H31N3O2Si and a molecular weight of 397.60 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
PubChem CID172801143
Molecular FormulaC22H31N3O2Si
Molecular Weight397.60 g/mol
Exact Mass397.22
IUPAC Name1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESC[Si](C)(C)CCOCc1cc(=O)c2cnc3[nH]ccc3c2n1C1CCCCC1
InChIInChI=1S/C22H31N3O2Si/c1-28(2,3)12-11-27-15-17-13-20(26)19-14-24-22-18(9-10-23-22)21(19)25(17)16-7-5-4-6-8-16/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3,(H,23,24)
InChIKeyQWMDPSNUFDUKBN-UHFFFAOYSA-N
XLogP5.24
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-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

Related Compounds

1-[1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]piperidin-2-yl]-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 172849201
3-cyclohexyl-4-[(4-methoxyphenyl)methyl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 156786336
13-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-2-yl]-11-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-10,12-dione
CID 172721372
N-[(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)methyl]-4-methylaniline
CID 156786332
3-cyclohexyl-4-[(1R)-1-methoxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395538
1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 118524161
3-(3-methylcyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 59291864
1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 71264306
3-cyclohexyl-4-pyrimidin-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 167194477
3-cyclohexyl-5-(4-methylsulfonylphenyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 58382277
5-ethyl-3-[(1S,2R)-2-methoxycyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67278550
3-cyclohexyl-4-pyrimidin-5-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 167195010

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The IUPAC name of 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one (CID 172801143) is 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one.
What is the SMILES notation for 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The canonical SMILES for 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one is C[Si](C)(C)CCOCc1cc(=O)c2cnc3[nH]ccc3c2n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The InChIKey is QWMDPSNUFDUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2Si/c1-28(2,3)12-11-27-15-17-13-20(26)19-14-24-22-18(9-10-23-22)21(19)25(17)16-7-5-4-6-8-16/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3,(H,23,24).
What are the key properties of 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one has a molecular weight of 397.60 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one is sourced from PubChem (CID 172801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).