5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C30H25F5N4O3Si — CID 162596355

About 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 162596355) has the molecular formula C30H25F5N4O3Si and a molecular weight of 612.63 g/mol. Its IUPAC name is 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 162596355
• Molecular Formula: C30H25F5N4O3Si
• Molecular Weight: 612.63 g/mol
• Exact Mass: 612.16
• IUPAC Name: 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)N[Si@](C)(C#N)C4CC4)c3)cc12
• InChI: InChI=1S/C30H25F5N4O3Si/c1-37-28(41)25-22-14-20(17-5-10-23(32)21(13-17)27(40)39-43(2,15-36)19-8-9-19)24(11-12-30(33,34)35)38-29(22)42-26(25)16-3-6-18(31)7-4-16/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,37,41)(H,39,40)/t43-/m1/s1
• InChIKey: ARRUPOFLUMZVRZ-VZUYHUTRSA-N
• XLogP: 6.83
• TPSA: 108.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.63
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 162596355) is 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)N[Si@](C)(C#N)C4CC4)c3)cc12.

What is the InChIKey of 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is ARRUPOFLUMZVRZ-VZUYHUTRSA-N. The full InChI is InChI=1S/C30H25F5N4O3Si/c1-37-28(41)25-22-14-20(17-5-10-23(32)21(13-17)27(40)39-43(2,15-36)19-8-9-19)24(11-12-30(33,34)35)38-29(22)42-26(25)16-3-6-18(31)7-4-16/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,37,41)(H,39,40)/t43-/m1/s1.

What are the key properties of 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 612.63 g/mol, XLogP of 6.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(cyano-cyclopropyl-methylsilyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 162596355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).