tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate

C35H48N8O3Si — CID 166451378

IUPACtert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)C1CCN(c2ncc3c(-c4n[nH]nc4[Si](C)(C)C)cc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C35H48N8O3Si/c1-35(2,3)46-34(45)42(21-16-24-12-8-7-9-13-24)25-17-19-41(20-18-25)33-36-23-28-27(30-32(39-40-38-30)47(4,5)6)22-29(44)43(31(28)37-33)26-14-10-11-15-26/h7-9,12-13,22-23,25-26H,10-11,14-21H2,1-6H3,(H,38,39,40)
InChIKeyZYCKBSIVUTVXGW-UHFFFAOYSA-N
MW656.91 g/mol
LogP5.69
Rot. Bonds8

About tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate

tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate (PubChem CID 166451378) has the molecular formula C35H48N8O3Si and a molecular weight of 656.91 g/mol. Its IUPAC name is tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate
PubChem CID166451378
Molecular FormulaC35H48N8O3Si
Molecular Weight656.91 g/mol
Exact Mass656.36
IUPAC Nametert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)C1CCN(c2ncc3c(-c4n[nH]nc4[Si](C)(C)C)cc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C35H48N8O3Si/c1-35(2,3)46-34(45)42(21-16-24-12-8-7-9-13-24)25-17-19-41(20-18-25)33-36-23-28-27(30-32(39-40-38-30)47(4,5)6)22-29(44)43(31(28)37-33)26-14-10-11-15-26/h7-9,12-13,22-23,25-26H,10-11,14-21H2,1-6H3,(H,38,39,40)
InChIKeyZYCKBSIVUTVXGW-UHFFFAOYSA-N
XLogP5.69
TPSA122.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.91
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)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 tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate (CID 166451378) is tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate is CC(C)(C)OC(=O)N(CCc1ccccc1)C1CCN(c2ncc3c(-c4n[nH]nc4[Si](C)(C)C)cc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate?
The InChIKey is ZYCKBSIVUTVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N8O3Si/c1-35(2,3)46-34(45)42(21-16-24-12-8-7-9-13-24)25-17-19-41(20-18-25)33-36-23-28-27(30-32(39-40-38-30)47(4,5)6)22-29(44)43(31(28)37-33)26-14-10-11-15-26/h7-9,12-13,22-23,25-26H,10-11,14-21H2,1-6H3,(H,38,39,40).
What are the key properties of tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate?
tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate has a molecular weight of 656.91 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 166451378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).