1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)

C128H178F6N22O13SSi5 — CID 160756728

About 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)

1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile) (PubChem CID 160756728) has the molecular formula C128H178F6N22O13SSi5 and a molecular weight of 2519.46 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile).

Molecular Properties

• Compound Name: 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)
• PubChem CID: 160756728
• Molecular Formula: C128H178F6N22O13SSi5
• Molecular Weight: 2519.46 g/mol
• Exact Mass: 2517.24
• IUPAC Name: 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)
• SMILES: C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CN)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CNC(CC#N)C(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CNC(CC#N)C(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COS(C)(=O)=O)CC3)c12.Cc1cnn(CC2CCC(n3ccc(=O)c4cnc5c(ccn5COCC[Si](C)(C)C)c43)CC2)c1
• InChI: InChI=1S/2C27H36F3N5O2Si.C27H37N5O2Si.C24H35N3O5SSi.C23H34N4O2Si/c2*1-38(2,3)15-14-37-18-34-12-9-21-25-22(17-33-26(21)34)23(36)10-13-35(25)20-6-4-19(5-7-20)16-32-24(8-11-31)27(28,29)30;1-20-15-29-31(17-20)18-21-5-7-22(8-6-21)32-12-10-25(33)24-16-28-27-23(26(24)32)9-11-30(27)19-34-13-14-35(2,3)4;1-33(29,30)32-16-18-5-7-19(8-6-18)27-12-10-22(28)21-15-25-24-20(23(21)27)9-11-26(24)17-31-13-14-34(2,3)4;1-30(2,3)13-12-29-16-26-10-8-19-22-20(15-25-23(19)26)21(28)9-11-27(22)18-6-4-17(14-24)5-7-18/h2*9-10,12-13,17,19-20,24,32H,4-8,14-16,18H2,1-3H3;9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;9-12,15,18-19H,5-8,13-14,16-17H2,1-4H3;8-11,15,17-18H,4-7,12-14,16,24H2,1-3H3
• InChIKey: RXNKJZXNZMCAKT-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 404.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 44
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2519.46
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)?

The IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile) (CID 160756728) is 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile).

What is the SMILES notation for 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)?

The canonical SMILES for 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile) is C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CN)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CNC(CC#N)C(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CNC(CC#N)C(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COS(C)(=O)=O)CC3)c12.Cc1cnn(CC2CCC(n3ccc(=O)c4cnc5c(ccn5COCC[Si](C)(C)C)c43)CC2)c1.

What is the InChIKey of 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)?

The InChIKey is RXNKJZXNZMCAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H36F3N5O2Si.C27H37N5O2Si.C24H35N3O5SSi.C23H34N4O2Si/c2*1-38(2,3)15-14-37-18-34-12-9-21-25-22(17-33-26(21)34)23(36)10-13-35(25)20-6-4-19(5-7-20)16-32-24(8-11-31)27(28,29)30;1-20-15-29-31(17-20)18-21-5-7-22(8-6-21)32-12-10-25(33)24-16-28-27-23(26(24)32)9-11-30(27)19-34-13-14-35(2,3)4;1-33(29,30)32-16-18-5-7-19(8-6-18)27-12-10-22(28)21-15-25-24-20(23(21)27)9-11-26(24)17-31-13-14-34(2,3)4;1-30(2,3)13-12-29-16-26-10-8-19-22-20(15-25-23(19)26)21(28)9-11-27(22)18-6-4-17(14-24)5-7-18/h2*9-10,12-13,17,19-20,24,32H,4-8,14-16,18H2,1-3H3;9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;9-12,15,18-19H,5-8,13-14,16-17H2,1-4H3;8-11,15,17-18H,4-7,12-14,16,24H2,1-3H3.

What are the key properties of 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile)?

1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile) has a molecular weight of 2519.46 g/mol, XLogP of 25.98, 44 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(aminomethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-[(4-methylpyrazol-1-yl)methyl]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]cyclohexyl]methyl methanesulfonate;bis(4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methylamino]butanenitrile) is sourced from PubChem (CID 160756728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).