CID 159408424

C64H256ClF18N19O6 — CID 159408424

About CID 159408424

CID 159408424 (PubChem CID 159408424) has the molecular formula C64H256ClF18N19O6 and a molecular weight of 1968.52 g/mol.

Molecular Properties

• Compound Name: CID 159408424
• PubChem CID: 159408424
• Molecular Formula: C64H256ClF18N19O6
• Molecular Weight: 1968.52 g/mol
• Exact Mass: 1967.23
• IUPAC Name: —
• SMILES: CC(=O)O.Cc1cccnc1NC(=O)OC(C)(C)C.FC(F)(F)c1cc2c(Cl)ccnc2[nH]1.FC(F)(F)c1cc2cccnc2[nH]1.N#Cc1ccnc2[nH]c(C(F)(F)F)cc12.NC(=NO)c1ccnc2[nH]c(C(F)(F)F)cc12.On1cccc2cc(C(F)(F)F)nc1-2.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H]/N=C(\N)c1ccnc2[nH]c(C(F)(F)F)cc12.[H][2H].[H][2H].[H][2H]
• InChI: InChI=1S/C11H16N2O2.C9H7F3N4O.C9H7F3N4.C9H4F3N3.C8H4ClF3N2.C8H5F3N2O.C8H5F3N2.C2H4O2.102H2/c1-8-6-5-7-12-9(8)13-10(14)15-11(2,3)4;10-9(11,12)6-3-5-4(7(13)16-17)1-2-14-8(5)15-6;10-9(11,12)6-3-5-4(7(13)14)1-2-15-8(5)16-6;10-9(11,12)7-3-6-5(4-13)1-2-14-8(6)15-7;9-5-1-2-13-7-4(5)3-6(14-7)8(10,11)12;9-8(10,11)6-4-5-2-1-3-13(14)7(5)12-6;9-8(10,11)6-4-5-2-1-3-12-7(5)13-6;1-2(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-7H,1-4H3,(H,12,13,14);1-3,17H,(H2,13,16)(H,14,15);1-3H,(H3,13,14)(H,15,16);1-3H,(H,14,15);1-3H,(H,13,14);1-4,14H;1-4H,(H,12,13);1H3,(H,3,4);102*1H/i;;;;;;;;99*1+1D;3*1+1
• InChIKey: RLINPDBFVSRPIJ-PKXNYMMUSA-N
• XLogP: 41.98
• TPSA: 402.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 3
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.52
LogP ≤ 5	41.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of CID 159408424?

The IUPAC name of CID 159408424 (CID 159408424) is not available.

What is the SMILES notation for CID 159408424?

The canonical SMILES for CID 159408424 is CC(=O)O.Cc1cccnc1NC(=O)OC(C)(C)C.FC(F)(F)c1cc2c(Cl)ccnc2[nH]1.FC(F)(F)c1cc2cccnc2[nH]1.N#Cc1ccnc2[nH]c(C(F)(F)F)cc12.NC(=NO)c1ccnc2[nH]c(C(F)(F)F)cc12.On1cccc2cc(C(F)(F)F)nc1-2.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H]/N=C(\N)c1ccnc2[nH]c(C(F)(F)F)cc12.[H][2H].[H][2H].[H][2H].

What is the InChIKey of CID 159408424?

The InChIKey is RLINPDBFVSRPIJ-PKXNYMMUSA-N. The full InChI is InChI=1S/C11H16N2O2.C9H7F3N4O.C9H7F3N4.C9H4F3N3.C8H4ClF3N2.C8H5F3N2O.C8H5F3N2.C2H4O2.102H2/c1-8-6-5-7-12-9(8)13-10(14)15-11(2,3)4;10-9(11,12)6-3-5-4(7(13)16-17)1-2-14-8(5)15-6;10-9(11,12)6-3-5-4(7(13)14)1-2-15-8(5)16-6;10-9(11,12)7-3-6-5(4-13)1-2-14-8(6)15-7;9-5-1-2-13-7-4(5)3-6(14-7)8(10,11)12;9-8(10,11)6-4-5-2-1-3-13(14)7(5)12-6;9-8(10,11)6-4-5-2-1-3-12-7(5)13-6;1-2(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-7H,1-4H3,(H,12,13,14);1-3,17H,(H2,13,16)(H,14,15);1-3H,(H3,13,14)(H,15,16);1-3H,(H,14,15);1-3H,(H,13,14);1-4,14H;1-4H,(H,12,13);1H3,(H,3,4);102*1H/i;;;;;;;;99*1+1D;3*1+1.

What are the key properties of CID 159408424?

CID 159408424 has a molecular weight of 1968.52 g/mol, XLogP of 41.98, 3 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159408424 is sourced from PubChem (CID 159408424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).