[4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate

C28H39N5O4Si — CID 177119374

IUPAC[4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate
SMILESCOc1ccc(OC(=O)NCC2CCCCC2)cc1-c1cncc(-c2nncn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C28H39N5O4Si/c1-35-26-11-10-24(37-28(34)30-16-21-8-6-5-7-9-21)15-25(26)22-14-23(18-29-17-22)27-32-31-19-33(27)20-36-12-13-38(2,3)4/h10-11,14-15,17-19,21H,5-9,12-13,16,20H2,1-4H3,(H,30,34)
InChIKeyDPJYJIXYEGTGHN-UHFFFAOYSA-N
MW537.74 g/mol
LogP6.00
Rot. Bonds11

About [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate

[4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate (PubChem CID 177119374) has the molecular formula C28H39N5O4Si and a molecular weight of 537.74 g/mol. Its IUPAC name is [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Name[4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate
PubChem CID177119374
Molecular FormulaC28H39N5O4Si
Molecular Weight537.74 g/mol
Exact Mass537.28
IUPAC Name[4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate
SMILESCOc1ccc(OC(=O)NCC2CCCCC2)cc1-c1cncc(-c2nncn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C28H39N5O4Si/c1-35-26-11-10-24(37-28(34)30-16-21-8-6-5-7-9-21)15-25(26)22-14-23(18-29-17-22)27-32-31-19-33(27)20-36-12-13-38(2,3)4/h10-11,14-15,17-19,21H,5-9,12-13,16,20H2,1-4H3,(H,30,34)
InChIKeyDPJYJIXYEGTGHN-UHFFFAOYSA-N
XLogP6.00
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.74
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate 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 [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate?
The IUPAC name of [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate (CID 177119374) is [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate?
The canonical SMILES for [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate is COc1ccc(OC(=O)NCC2CCCCC2)cc1-c1cncc(-c2nncn2COCC[Si](C)(C)C)c1.
What is the InChIKey of [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate?
The InChIKey is DPJYJIXYEGTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O4Si/c1-35-26-11-10-24(37-28(34)30-16-21-8-6-5-7-9-21)15-25(26)22-14-23(18-29-17-22)27-32-31-19-33(27)20-36-12-13-38(2,3)4/h10-11,14-15,17-19,21H,5-9,12-13,16,20H2,1-4H3,(H,30,34).
What are the key properties of [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate?
[4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate has a molecular weight of 537.74 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[5-[4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]phenyl] N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 177119374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).