[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane

C49H60IN9O8Si2 — CID 161111368

About [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane

[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane (PubChem CID 161111368) has the molecular formula C49H60IN9O8Si2 and a molecular weight of 1086.15 g/mol. Its IUPAC name is [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane.

Molecular Properties

• Compound Name: [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane
• PubChem CID: 161111368
• Molecular Formula: C49H60IN9O8Si2
• Molecular Weight: 1086.15 g/mol
• Exact Mass: 1085.31
• IUPAC Name: [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane
• SMILES: C#CCO[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(C(=O)C#CCO[Si](C)(C)C)c2cccnc21.CC(C)(C)OC(=O)n1cc(I)c2cccnc21.Nc1nc(CO)cc(-c2c[nH]c3ncccc23)n1
• InChI: InChI=1S/C19H24N2O4Si.C12H13IN2O2.C12H11N5O.C6H12OSi/c1-19(2,3)25-18(23)21-13-15(14-9-7-11-20-17(14)21)16(22)10-8-12-24-26(4,5)6;1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15;13-12-16-7(6-18)4-10(17-12)9-5-15-11-8(9)2-1-3-14-11;1-5-6-7-8(2,3)4/h7,9,11,13H,12H2,1-6H3;4-7H,1-3H3;1-5,18H,6H2,(H,14,15)(H2,13,16,17);1H,6H2,2-4H3
• InChIKey: UJSUPVSWIJENLP-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 224.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.15
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane?

The IUPAC name of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane (CID 161111368) is [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane.

What is the SMILES notation for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane?

The canonical SMILES for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane is C#CCO[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(C(=O)C#CCO[Si](C)(C)C)c2cccnc21.CC(C)(C)OC(=O)n1cc(I)c2cccnc21.Nc1nc(CO)cc(-c2c[nH]c3ncccc23)n1.

What is the InChIKey of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane?

The InChIKey is UJSUPVSWIJENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4Si.C12H13IN2O2.C12H11N5O.C6H12OSi/c1-19(2,3)25-18(23)21-13-15(14-9-7-11-20-17(14)21)16(22)10-8-12-24-26(4,5)6;1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15;13-12-16-7(6-18)4-10(17-12)9-5-15-11-8(9)2-1-3-14-11;1-5-6-7-8(2,3)4/h7,9,11,13H,12H2,1-6H3;4-7H,1-3H3;1-5,18H,6H2,(H,14,15)(H2,13,16,17);1H,6H2,2-4H3.

What are the key properties of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane?

[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane has a molecular weight of 1086.15 g/mol, XLogP of 9.85, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methanol;tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(4-trimethylsilyloxybut-2-ynoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;trimethyl(prop-2-ynoxy)silane is sourced from PubChem (CID 161111368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).