CID 174044252

C23H26ClFN5O3Si — CID 174044252

IUPAC—
SMILESCc1nc(C(C)([Si])c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C23H26ClFN5O3Si/c1-10(2)33-19-14(9-15(24)17(25)16(19)21(32)29-12-7-13(31)8-12)23(4,34)22-28-11(3)18-20(26)27-5-6-30(18)22/h5-6,9-10,12-13,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32)
InChIKeyGSUHWBDAQRQINQ-UHFFFAOYSA-N
MW503.03 g/mol
LogP2.88
Rot. Bonds6

About CID 174044252

CID 174044252 (PubChem CID 174044252) has the molecular formula C23H26ClFN5O3Si and a molecular weight of 503.03 g/mol.

Molecular Properties

Compound NameCID 174044252
PubChem CID174044252
Molecular FormulaC23H26ClFN5O3Si
Molecular Weight503.03 g/mol
Exact Mass502.15
IUPAC Name—
SMILESCc1nc(C(C)([Si])c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C23H26ClFN5O3Si/c1-10(2)33-19-14(9-15(24)17(25)16(19)21(32)29-12-7-13(31)8-12)23(4,34)22-28-11(3)18-20(26)27-5-6-30(18)22/h5-6,9-10,12-13,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32)
InChIKeyGSUHWBDAQRQINQ-UHFFFAOYSA-N
XLogP2.88
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.03
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 174044252?
The IUPAC name of CID 174044252 (CID 174044252) is not available.
What is the SMILES notation for CID 174044252?
The canonical SMILES for CID 174044252 is Cc1nc(C(C)([Si])c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of CID 174044252?
The InChIKey is GSUHWBDAQRQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN5O3Si/c1-10(2)33-19-14(9-15(24)17(25)16(19)21(32)29-12-7-13(31)8-12)23(4,34)22-28-11(3)18-20(26)27-5-6-30(18)22/h5-6,9-10,12-13,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32).
What are the key properties of CID 174044252?
CID 174044252 has a molecular weight of 503.03 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174044252 is sourced from PubChem (CID 174044252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).