2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C68H77ClN14O4Si2 — CID 158858251

About 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 158858251) has the molecular formula C68H77ClN14O4Si2 and a molecular weight of 1246.08 g/mol. Its IUPAC name is 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• PubChem CID: 158858251
• Molecular Formula: C68H77ClN14O4Si2
• Molecular Weight: 1246.08 g/mol
• Exact Mass: 1244.55
• IUPAC Name: 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
• SMILES: C[Si](C)(C)CCOCn1c(-c2ccccc2C2CC2)cc2ccc(Cl)nc21.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C3CC3)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C3CC3)n(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C26H32N6O2Si.C22H27ClN2OSi.C20H18N6O/c1-31-25(27-16-28-31)26(33)30-23-12-11-19-15-22(21-8-6-5-7-20(21)18-9-10-18)32(24(19)29-23)17-34-13-14-35(2,3)4;1-27(2,3)13-12-26-15-25-20(14-17-10-11-21(23)24-22(17)25)19-7-5-4-6-18(19)16-8-9-16;1-26-19(21-11-22-26)20(27)25-17-9-8-13-10-16(23-18(13)24-17)15-5-3-2-4-14(15)12-6-7-12/h5-8,11-12,15-16,18H,9-10,13-14,17H2,1-4H3,(H,29,30,33);4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3;2-5,8-12H,6-7H2,1H3,(H2,23,24,25,27)
• InChIKey: JAIHXRLLPIXQOD-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 202.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.08
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The IUPAC name of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 158858251) is 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is C[Si](C)(C)CCOCn1c(-c2ccccc2C2CC2)cc2ccc(Cl)nc21.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C3CC3)[nH]c2n1.Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C3CC3)n(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

The InChIKey is JAIHXRLLPIXQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2Si.C22H27ClN2OSi.C20H18N6O/c1-31-25(27-16-28-31)26(33)30-23-12-11-19-15-22(21-8-6-5-7-20(21)18-9-10-18)32(24(19)29-23)17-34-13-14-35(2,3)4;1-27(2,3)13-12-26-15-25-20(14-17-10-11-21(23)24-22(17)25)19-7-5-4-6-18(19)16-8-9-16;1-26-19(21-11-22-26)20(27)25-17-9-8-13-10-16(23-18(13)24-17)15-5-3-2-4-14(15)12-6-7-12/h5-8,11-12,15-16,18H,9-10,13-14,17H2,1-4H3,(H,29,30,33);4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3;2-5,8-12H,6-7H2,1H3,(H2,23,24,25,27).

What are the key properties of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?

2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 1246.08 g/mol, XLogP of 15.31, 20 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;N-[2-(2-cyclopropylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-cyclopropylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158858251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).