CID 145054441

C31H34F3N5O3Si- — CID 145054441

About CID 145054441

CID 145054441 (PubChem CID 145054441) has the molecular formula C31H34F3N5O3Si- and a molecular weight of 609.73 g/mol.

Molecular Properties

• Compound Name: CID 145054441
• PubChem CID: 145054441
• Molecular Formula: C31H34F3N5O3Si-
• Molecular Weight: 609.73 g/mol
• Exact Mass: 609.24
• IUPAC Name: —
• SMILES: CC(C)(O[Si-](C)(C)C(C)(C)C)c1ncc(-c2cc3c(cc2F)nc2n3[C@@H]3C[C@H]2NC(=O)c2cccc(OC(F)F)c23)cn1
• InChI: InChI=1S/C31H34F3N5O3Si/c1-30(2,3)43(6,7)42-31(4,5)28-35-14-16(15-36-28)18-11-22-20(12-19(18)32)37-26-21-13-23(39(22)26)25-17(27(40)38-21)9-8-10-24(25)41-29(33)34/h8-12,14-15,21,23,29H,13H2,1-7H3,(H,38,40)/q-1/t21-,23-/m1/s1
• InChIKey: HJUFCKLGKKBBIM-FYYLOGMGSA-N
• XLogP: 7.27
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.73
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 145054441?

The IUPAC name of CID 145054441 (CID 145054441) is not available.

What is the SMILES notation for CID 145054441?

The canonical SMILES for CID 145054441 is CC(C)(O[Si-](C)(C)C(C)(C)C)c1ncc(-c2cc3c(cc2F)nc2n3[C@@H]3C[C@H]2NC(=O)c2cccc(OC(F)F)c23)cn1.

What is the InChIKey of CID 145054441?

The InChIKey is HJUFCKLGKKBBIM-FYYLOGMGSA-N. The full InChI is InChI=1S/C31H34F3N5O3Si/c1-30(2,3)43(6,7)42-31(4,5)28-35-14-16(15-36-28)18-11-22-20(12-19(18)32)37-26-21-13-23(39(22)26)25-17(27(40)38-21)9-8-10-24(25)41-29(33)34/h8-12,14-15,21,23,29H,13H2,1-7H3,(H,38,40)/q-1/t21-,23-/m1/s1.

What are the key properties of CID 145054441?

CID 145054441 has a molecular weight of 609.73 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for CID 145054441 is sourced from PubChem (CID 145054441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).