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

C137H193Cl4N19O19Si7 — CID 161181331

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

4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde (PubChem CID 161181331) has the molecular formula C137H193Cl4N19O19Si7 and a molecular weight of 2748.58 g/mol. Its IUPAC name is 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
• PubChem CID: 161181331
• Molecular Formula: C137H193Cl4N19O19Si7
• Molecular Weight: 2748.58 g/mol
• Exact Mass: 2744.19
• IUPAC Name: 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
• SMILES: C.C.C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CON(C)/C=C/C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CON(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(CO)CC3)c12.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CO)CC3)c12
• InChI: InChI=1S/2C23H33N3O3Si.C23H31N3O3Si.C18H26ClN3O3Si.C16H24ClN3O3Si.2C16H19ClN2O2Si.2CH4/c3*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;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;2*1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4;;/h2*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;6-7,10H,8-9,11H2,1-5H3;2*1,6-7,10H,8-9,11H2,2-4H3;2*1H4/b;;;8-7+
• InChIKey: USMOAJPJMAEXGU-RCXVBQQOSA-N
• XLogP: 30.10
• TPSA: 406.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 49
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.58
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

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

The IUPAC name of 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde (CID 161181331) is 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;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-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde?

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

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

The InChIKey is USMOAJPJMAEXGU-RCXVBQQOSA-N. The full InChI is InChI=1S/2C23H33N3O3Si.C23H31N3O3Si.C18H26ClN3O3Si.C16H24ClN3O3Si.2C16H19ClN2O2Si.2CH4/c3*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;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;2*1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4;;/h2*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;6-7,10H,8-9,11H2,1-5H3;2*1,6-7,10H,8-9,11H2,2-4H3;2*1H4/b;;;8-7+;;;;;.

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

4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde has a molecular weight of 2748.58 g/mol, XLogP of 30.10, 49 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;(E)-1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-[methoxy(methyl)amino]prop-2-en-1-one;bis(1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one);bis(1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one);methane;4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 161181331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).