CID 165405184

C25H30F5N5O2Si — CID 165405184

IUPAC—
SMILESCNC(=O)c1cc(F)c(C[Si][C@@H](CNC(=O)C[C@H](c2cnc(C)nc2)C2(C(F)(F)F)CC2)N(C)C)c(F)c1
InChIInChI=1S/C25H30F5N5O2Si/c1-14-32-10-16(11-33-14)18(24(5-6-24)25(28,29)30)9-21(36)34-12-22(35(3)4)38-13-17-19(26)7-15(8-20(17)27)23(37)31-2/h7-8,10-11,18,22H,5-6,9,12-13H2,1-4H3,(H,31,37)(H,34,36)/t18-,22+/m1/s1
InChIKeyNQPWHGANIPPTHA-GCJKJVERSA-N
MW555.62 g/mol
LogP3.15
Rot. Bonds11

About CID 165405184

CID 165405184 (PubChem CID 165405184) has the molecular formula C25H30F5N5O2Si and a molecular weight of 555.62 g/mol.

Molecular Properties

Compound NameCID 165405184
PubChem CID165405184
Molecular FormulaC25H30F5N5O2Si
Molecular Weight555.62 g/mol
Exact Mass555.21
IUPAC Name—
SMILESCNC(=O)c1cc(F)c(C[Si][C@@H](CNC(=O)C[C@H](c2cnc(C)nc2)C2(C(F)(F)F)CC2)N(C)C)c(F)c1
InChIInChI=1S/C25H30F5N5O2Si/c1-14-32-10-16(11-33-14)18(24(5-6-24)25(28,29)30)9-21(36)34-12-22(35(3)4)38-13-17-19(26)7-15(8-20(17)27)23(37)31-2/h7-8,10-11,18,22H,5-6,9,12-13H2,1-4H3,(H,31,37)(H,34,36)/t18-,22+/m1/s1
InChIKeyNQPWHGANIPPTHA-GCJKJVERSA-N
XLogP3.15
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.62
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 165405184?
The IUPAC name of CID 165405184 (CID 165405184) is not available.
What is the SMILES notation for CID 165405184?
The canonical SMILES for CID 165405184 is CNC(=O)c1cc(F)c(C[Si][C@@H](CNC(=O)C[C@H](c2cnc(C)nc2)C2(C(F)(F)F)CC2)N(C)C)c(F)c1.
What is the InChIKey of CID 165405184?
The InChIKey is NQPWHGANIPPTHA-GCJKJVERSA-N. The full InChI is InChI=1S/C25H30F5N5O2Si/c1-14-32-10-16(11-33-14)18(24(5-6-24)25(28,29)30)9-21(36)34-12-22(35(3)4)38-13-17-19(26)7-15(8-20(17)27)23(37)31-2/h7-8,10-11,18,22H,5-6,9,12-13H2,1-4H3,(H,31,37)(H,34,36)/t18-,22+/m1/s1.
What are the key properties of CID 165405184?
CID 165405184 has a molecular weight of 555.62 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165405184 is sourced from PubChem (CID 165405184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).