CID 142518568

C32H34F3N5O4Si- — CID 142518568

IUPAC—
SMILESCC(NC(=O)Nc1cc(F)c(Oc2ccnc3c2c(-c2cccc(F)c2C#N)cn3COCC[Si-](C)(C)C)c(F)c1)C1COC1
InChIInChI=1S/C32H34F3N5O4Si/c1-19(20-16-43-17-20)38-32(41)39-21-12-26(34)30(27(35)13-21)44-28-8-9-37-31-29(28)24(22-6-5-7-25(33)23(22)14-36)15-40(31)18-42-10-11-45(2,3)4/h5-9,12-13,15,19-20H,10-11,16-18H2,1-4H3,(H2,38,39,41)/q-1
InChIKeyGZVAWUBAEOCNIB-UHFFFAOYSA-N
MW637.74 g/mol
LogP7.25
Rot. Bonds11

About CID 142518568

CID 142518568 (PubChem CID 142518568) has the molecular formula C32H34F3N5O4Si- and a molecular weight of 637.74 g/mol.

Molecular Properties

Compound NameCID 142518568
PubChem CID142518568
Molecular FormulaC32H34F3N5O4Si-
Molecular Weight637.74 g/mol
Exact Mass637.23
IUPAC Name—
SMILESCC(NC(=O)Nc1cc(F)c(Oc2ccnc3c2c(-c2cccc(F)c2C#N)cn3COCC[Si-](C)(C)C)c(F)c1)C1COC1
InChIInChI=1S/C32H34F3N5O4Si/c1-19(20-16-43-17-20)38-32(41)39-21-12-26(34)30(27(35)13-21)44-28-8-9-37-31-29(28)24(22-6-5-7-25(33)23(22)14-36)15-40(31)18-42-10-11-45(2,3)4/h5-9,12-13,15,19-20H,10-11,16-18H2,1-4H3,(H2,38,39,41)/q-1
InChIKeyGZVAWUBAEOCNIB-UHFFFAOYSA-N
XLogP7.25
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 142518568 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 142518568?
The IUPAC name of CID 142518568 (CID 142518568) is not available.
What is the SMILES notation for CID 142518568?
The canonical SMILES for CID 142518568 is CC(NC(=O)Nc1cc(F)c(Oc2ccnc3c2c(-c2cccc(F)c2C#N)cn3COCC[Si-](C)(C)C)c(F)c1)C1COC1.
What is the InChIKey of CID 142518568?
The InChIKey is GZVAWUBAEOCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O4Si/c1-19(20-16-43-17-20)38-32(41)39-21-12-26(34)30(27(35)13-21)44-28-8-9-37-31-29(28)24(22-6-5-7-25(33)23(22)14-36)15-40(31)18-42-10-11-45(2,3)4/h5-9,12-13,15,19-20H,10-11,16-18H2,1-4H3,(H2,38,39,41)/q-1.
What are the key properties of CID 142518568?
CID 142518568 has a molecular weight of 637.74 g/mol, XLogP of 7.25, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142518568 is sourced from PubChem (CID 142518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).