4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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

C114H171Cl2F3N16O18Si7 — CID 158496001

About 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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

4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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 (PubChem CID 158496001) has the molecular formula C114H171Cl2F3N16O18Si7 and a molecular weight of 2378.22 g/mol. Its IUPAC name is 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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.

Molecular Properties

• Compound Name: 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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
• PubChem CID: 158496001
• Molecular Formula: C114H171Cl2F3N16O18Si7
• Molecular Weight: 2378.22 g/mol
• Exact Mass: 2375.07
• IUPAC Name: 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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
• SMILES: C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CON(C)C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)CCOCn1c(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c2n(C2CCC(CO)CC2)c1=O.C[Si](C)(C)CCOCn1c(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c2n(C2CCC(COCCC(F)(F)F)CC2)c1=O.C[Si](C)(C)CCOCn1ccc2c1ncc1c(=O)ccn(C3CCC(CO)CC3)c12
• InChI: InChI=1S/C31H49F3N4O5Si2.C28H46N4O5Si2.C23H33N3O3Si.C16H24ClN3O3Si.C16H19ClN2O2Si/c1-44(2,3)17-15-42-21-36-13-11-25-27-26(19-35-28(25)36)29(39)37(22-43-16-18-45(4,5)6)30(40)38(27)24-9-7-23(8-10-24)20-41-14-12-31(32,33)34;1-38(2,3)15-13-36-19-30-12-11-23-25-24(17-29-26(23)30)27(34)31(20-37-14-16-39(4,5)6)28(35)32(25)22-9-7-21(18-33)8-10-22;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;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h11,13,19,23-24H,7-10,12,14-18,20-22H2,1-6H3;11-12,17,21-22,33H,7-10,13-16,18-20H2,1-6H3;8-11,14,17-18,27H,4-7,12-13,15-16H2,1-3H3;6-7,10H,8-9,11H2,1-5H3;1,6-7,10H,8-9,11H2,2-4H3
• InChIKey: HJHJICUPLQYZII-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 360.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.22
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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?

The IUPAC name of 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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 158496001) is 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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.

What is the SMILES notation for 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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?

The canonical SMILES for 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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 is C#CC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CON(C)C(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.C[Si](C)(C)CCOCn1c(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c2n(C2CCC(CO)CC2)c1=O.C[Si](C)(C)CCOCn1c(=O)c2cnc3c(ccn3COCC[Si](C)(C)C)c2n(C2CCC(COCCC(F)(F)F)CC2)c1=O.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;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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?

The InChIKey is HJHJICUPLQYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49F3N4O5Si2.C28H46N4O5Si2.C23H33N3O3Si.C16H24ClN3O3Si.C16H19ClN2O2Si/c1-44(2,3)17-15-42-21-36-13-11-25-27-26(19-35-28(25)36)29(39)37(22-43-16-18-45(4,5)6)30(40)38(27)24-9-7-23(8-10-24)20-41-14-12-31(32,33)34;1-38(2,3)15-13-36-19-30-12-11-23-25-24(17-29-26(23)30)27(34)31(20-37-14-16-39(4,5)6)28(35)32(25)22-9-7-21(18-33)8-10-22;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;1-19(22-2)16(21)13-10-18-15-12(14(13)17)6-7-20(15)11-23-8-9-24(3,4)5;1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h11,13,19,23-24H,7-10,12,14-18,20-22H2,1-6H3;11-12,17,21-22,33H,7-10,13-16,18-20H2,1-6H3;8-11,14,17-18,27H,4-7,12-13,15-16H2,1-3H3;6-7,10H,8-9,11H2,1-5H3;1,6-7,10H,8-9,11H2,2-4H3.

What are the key properties of 4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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?

4-chloro-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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 has a molecular weight of 2378.22 g/mol, XLogP of 23.54, 47 rotatable bonds, 2 hydrogen bond donors, and 33 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;1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]prop-2-yn-1-one;13-[4-(hydroxymethyl)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;1-[4-(hydroxymethyl)cyclohexyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-4-one;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 is sourced from PubChem (CID 158496001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).