tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane

C79H84F3IN12O7Si — CID 161494530

About tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane

tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane (PubChem CID 161494530) has the molecular formula C79H84F3IN12O7Si and a molecular weight of 1525.60 g/mol. Its IUPAC name is tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
• PubChem CID: 161494530
• Molecular Formula: C79H84F3IN12O7Si
• Molecular Weight: 1525.60 g/mol
• Exact Mass: 1524.54
• IUPAC Name: tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
• SMILES: CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C(=O)c2c[nH]c3ncccc23)cn1.CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C=O)cn1.CC(C)[SiH](C(C)C)C(C)C.Ic1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccccc2F)nc1)c1c[nH]c2ncccc12
• InChI: InChI=1S/C25H23FN4O3.C20H15FN4O.C18H19FN2O3.C9H22Si.C7H5IN2/c1-25(2,3)33-24(32)30(15-17-7-4-5-9-20(17)26)21-11-10-16(13-28-21)22(31)19-14-29-23-18(19)8-6-12-27-23;21-17-6-2-1-4-13(17)10-23-18-8-7-14(11-24-18)19(26)16-12-25-20-15(16)5-3-9-22-20;1-18(2,3)24-17(23)21(11-14-6-4-5-7-15(14)19)16-9-8-13(12-22)10-20-16;1-7(2)10(8(3)4)9(5)6;8-6-4-10-7-5(6)2-1-3-9-7/h4-14H,15H2,1-3H3,(H,27,29);1-9,11-12H,10H2,(H,22,25)(H,23,24);4-10,12H,11H2,1-3H3;7-10H,1-6H3;1-4H,(H,9,10)
• InChIKey: WGAIGEMNWTUXBB-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 247.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.60
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?

The IUPAC name of tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane (CID 161494530) is tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane.

What is the SMILES notation for tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane is CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C(=O)c2c[nH]c3ncccc23)cn1.CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C=O)cn1.CC(C)[SiH](C(C)C)C(C)C.Ic1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccccc2F)nc1)c1c[nH]c2ncccc12.

What is the InChIKey of tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?

The InChIKey is WGAIGEMNWTUXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3.C20H15FN4O.C18H19FN2O3.C9H22Si.C7H5IN2/c1-25(2,3)33-24(32)30(15-17-7-4-5-9-20(17)26)21-11-10-16(13-28-21)22(31)19-14-29-23-18(19)8-6-12-27-23;21-17-6-2-1-4-13(17)10-23-18-8-7-14(11-24-18)19(26)16-12-25-20-15(16)5-3-9-22-20;1-18(2,3)24-17(23)21(11-14-6-4-5-7-15(14)19)16-9-8-13(12-22)10-20-16;1-7(2)10(8(3)4)9(5)6;8-6-4-10-7-5(6)2-1-3-9-7/h4-14H,15H2,1-3H3,(H,27,29);1-9,11-12H,10H2,(H,22,25)(H,23,24);4-10,12H,11H2,1-3H3;7-10H,1-6H3;1-4H,(H,9,10).

What are the key properties of tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane?

tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane has a molecular weight of 1525.60 g/mol, XLogP of 18.80, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]carbamate;[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-iodo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane is sourced from PubChem (CID 161494530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).