1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one

C142H196Cl2F9N19O15Si7 — CID 160696596

About 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one

1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one (PubChem CID 160696596) has the molecular formula C142H196Cl2F9N19O15Si7 and a molecular weight of 2847.74 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one.

Molecular Properties

• Compound Name: 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
• PubChem CID: 160696596
• Molecular Formula: C142H196Cl2F9N19O15Si7
• Molecular Weight: 2847.74 g/mol
• Exact Mass: 2844.28
• IUPAC Name: 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one
• SMILES: C.C.C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COC(CC#N)C(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COCC(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COCCC(F)(F)F)CC3)c12.Cc1cnn(CC2CCC(n3ccc(=O)c4cnc5c(ccn5COCC[Si](C)(C)C)c43)CC2)c1
• InChI: InChI=1S/C27H35F3N4O3Si.C27H37N5O2Si.C26H36F3N3O3Si.C25H34F3N3O3Si.C19H27ClN2O2Si2.C16H19ClN2O2Si.2CH4/c1-38(2,3)15-14-36-18-33-12-9-21-25-22(16-32-26(21)33)23(35)10-13-34(25)20-6-4-19(5-7-20)17-37-24(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;1-36(2,3)15-14-35-18-31-11-8-21-24-22(16-30-25(21)31)23(33)9-12-32(24)20-6-4-19(5-7-20)17-34-13-10-26(27,28)29;1-35(2,3)13-12-33-17-30-10-8-20-23-21(14-29-24(20)30)22(32)9-11-31(23)19-6-4-18(5-7-19)15-34-16-25(26,27)28;1-25(2,3)11-8-17(23)16-13-21-19-15(18(16)20)7-9-22(19)14-24-10-12-26(4,5)6;1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4;;/h9-10,12-13,16,19-20,24H,4-8,14-15,17-18H2,1-3H3;9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;8-9,11-12,16,19-20H,4-7,10,13-15,17-18H2,1-3H3;8-11,14,18-19H,4-7,12-13,15-17H2,1-3H3;7,9,13H,10,12,14H2,1-6H3;1,6-7,10H,8-9,11H2,2-4H3;2*1H4
• InChIKey: RQBQJAHUOMCUGG-UHFFFAOYSA-N
• XLogP: 34.35
• TPSA: 353.74 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 49
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2847.74
LogP ≤ 5	34.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?

The IUPAC name of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one (CID 160696596) is 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one.

What is the SMILES notation for 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?

The canonical SMILES for 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one is C.C.C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COC(CC#N)C(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COCC(F)(F)F)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(COCCC(F)(F)F)CC3)c12.Cc1cnn(CC2CCC(n3ccc(=O)c4cnc5c(ccn5COCC[Si](C)(C)C)c43)CC2)c1.

What is the InChIKey of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?

The InChIKey is RQBQJAHUOMCUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N4O3Si.C27H37N5O2Si.C26H36F3N3O3Si.C25H34F3N3O3Si.C19H27ClN2O2Si2.C16H19ClN2O2Si.2CH4/c1-38(2,3)15-14-36-18-33-12-9-21-25-22(16-32-26(21)33)23(35)10-13-34(25)20-6-4-19(5-7-20)17-37-24(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;1-36(2,3)15-14-35-18-31-11-8-21-24-22(16-30-25(21)31)23(33)9-12-32(24)20-6-4-19(5-7-20)17-34-13-10-26(27,28)29;1-35(2,3)13-12-33-17-30-10-8-20-23-21(14-29-24(20)30)22(32)9-11-31(23)19-6-4-18(5-7-19)15-34-16-25(26,27)28;1-25(2,3)11-8-17(23)16-13-21-19-15(18(16)20)7-9-22(19)14-24-10-12-26(4,5)6;1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4;;/h9-10,12-13,16,19-20,24H,4-8,14-15,17-18H2,1-3H3;9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;8-9,11-12,16,19-20H,4-7,10,13-15,17-18H2,1-3H3;8-11,14,18-19H,4-7,12-13,15-17H2,1-3H3;7,9,13H,10,12,14H2,1-6H3;1,6-7,10H,8-9,11H2,2-4H3;2*1H4.

What are the key properties of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one?

1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one has a molecular weight of 2847.74 g/mol, XLogP of 34.35, 49 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-trimethylsilylprop-2-yn-1-one;methane;1-[4-[(4-methylpyrazol-1-yl)methyl]cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;1-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;4,4,4-trifluoro-3-[[4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexyl]methoxy]butanenitrile;1-[4-(3,3,3-trifluoropropoxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one is sourced from PubChem (CID 160696596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).