4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde

C23H31N3O3Si — CID 140773218

IUPAC4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(C=O)CC3)c12
InChIInChI=1S/C23H31N3O3Si/c1-30(2,3)13-12-29-16-25-10-8-19-22-20(14-24-23(19)25)21(28)9-11-26(22)18-6-4-17(15-27)5-7-18/h8-11,14-15,17-18H,4-7,12-13,16H2,1-3H3
InChIKeyXNWUYINHCBRIPT-UHFFFAOYSA-N
MW425.61 g/mol
LogP4.59
Rot. Bonds7

About 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde

4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde (PubChem CID 140773218) has the molecular formula C23H31N3O3Si and a molecular weight of 425.61 g/mol. Its IUPAC name is 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
PubChem CID140773218
Molecular FormulaC23H31N3O3Si
Molecular Weight425.61 g/mol
Exact Mass425.21
IUPAC Name4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(C=O)CC3)c12
InChIInChI=1S/C23H31N3O3Si/c1-30(2,3)13-12-29-16-25-10-8-19-22-20(14-24-23(19)25)21(28)9-11-26(22)18-6-4-17(15-27)5-7-18/h8-11,14-15,17-18H,4-7,12-13,16H2,1-3H3
InChIKeyXNWUYINHCBRIPT-UHFFFAOYSA-N
XLogP4.59
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 140773229
1-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 123566782
13-[4-[hydroxy(methoxy)methyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8,11-pentaen-10-one
CID 90336039
4-[10-oxo-11-(2,2,2-trifluoroethyl)-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl]cyclohexane-1-carbaldehyde
CID 90336041
1-[(3R,4R)-4-methyl-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 123326967
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
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
1-[(3R,4R)-4-methyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-3-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 148749476
13-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-5,11-bis(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-10,12-dione
CID 140773219
(3R,4R)-4-methyl-3-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 142770021
4,5-dimethoxy-9-(1-methylpiperidin-4-yl)-14-(2-trimethylsilylethoxymethyl)-9,14,16-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,10,12,15-heptaen-8-one
CID 151578016
1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 71264259

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde (CID 140773218) is 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde is C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(C=O)CC3)c12.
What is the InChIKey of 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?
The InChIKey is XNWUYINHCBRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3Si/c1-30(2,3)13-12-29-16-25-10-8-19-22-20(14-24-23(19)25)21(28)9-11-26(22)18-6-4-17(15-27)5-7-18/h8-11,14-15,17-18H,4-7,12-13,16H2,1-3H3.
What are the key properties of 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?
4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde has a molecular weight of 425.61 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 140773218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).