1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde

C110H149Cl2N15O13Si5 — CID 158524377

About 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde

1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde (PubChem CID 158524377) has the molecular formula C110H149Cl2N15O13Si5 and a molecular weight of 2100.83 g/mol. Its IUPAC name is 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

• Compound Name: 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
• PubChem CID: 158524377
• Molecular Formula: C110H149Cl2N15O13Si5
• Molecular Weight: 2100.83 g/mol
• Exact Mass: 2097.97
• IUPAC Name: 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
• SMILES: C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CON(C)/C=C/C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(C=O)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CNCc4ccccc4)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CO)CC3)c12
• InChI: InChI=1S/C30H40N4O2Si.C23H33N3O3Si.C23H31N3O3Si.C18H26ClN3O3Si.C16H19ClN2O2Si/c1-37(2,3)18-17-36-22-33-15-13-26-29-27(21-32-30(26)33)28(35)14-16-34(29)25-11-9-24(10-12-25)20-31-19-23-7-5-4-6-8-23;2*1-30(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;1-21(24-2)8-7-16(23)15-12-20-18-14(17(15)19)6-9-22(18)13-25-10-11-26(3,4)5;1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h4-8,13-16,21,24-25,31H,9-12,17-20,22H2,1-3H3;8-11,14,17-18,27H,4-7,12-13,15-16H2,1-3H3;8-11,14-15,17-18H,4-7,12-13,16H2,1-3H3;6-9,12H,10-11,13H2,1-5H3;1,6-7,10H,8-9,11H2,2-4H3/b;;;8-7+
• InChIKey: HMPLHANXHJQRDD-GRJJVADESA-N
• XLogP: 23.17
• TPSA: 297.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.83
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?

The IUPAC name of 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde (CID 158524377) is 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde.

What is the SMILES notation for 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?

The canonical SMILES for 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde is C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CON(C)/C=C/C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(C=O)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CNCc4ccccc4)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CO)CC3)c12.

What is the InChIKey of 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?

The InChIKey is HMPLHANXHJQRDD-GRJJVADESA-N. The full InChI is InChI=1S/C30H40N4O2Si.C23H33N3O3Si.C23H31N3O3Si.C18H26ClN3O3Si.C16H19ClN2O2Si/c1-37(2,3)18-17-36-22-33-15-13-26-29-27(21-32-30(26)33)28(35)14-16-34(29)25-11-9-24(10-12-25)20-31-19-23-7-5-4-6-8-23;2*1-30(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;1-21(24-2)8-7-16(23)15-12-20-18-14(17(15)19)6-9-22(18)13-25-10-11-26(3,4)5;1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h4-8,13-16,21,24-25,31H,9-12,17-20,22H2,1-3H3;8-11,14,17-18,27H,4-7,12-13,15-16H2,1-3H3;8-11,14-15,17-18H,4-7,12-13,16H2,1-3H3;6-9,12H,10-11,13H2,1-5H3;1,6-7,10H,8-9,11H2,2-4H3/b;;;8-7+;.

What are the key properties of 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?

1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde has a molecular weight of 2100.83 g/mol, XLogP of 23.17, 39 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(benzylamino)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 158524377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).