benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate

C25H31N5O3 — CID 135752579

IUPACbenzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
SMILESCCc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)n2nc(C3CCCC3)[nH]c(=O)c12
InChIInChI=1S/C25H31N5O3/c1-2-20-21-24(31)27-22(18-10-6-7-11-18)28-30(21)23(26-20)19-12-14-29(15-13-19)25(32)33-16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H,27,28,31)
InChIKeyOLSAUCZUTFWEAU-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.15
Rot. Bonds5

About benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate

benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate (PubChem CID 135752579) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
PubChem CID135752579
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Namebenzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
SMILESCCc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)n2nc(C3CCCC3)[nH]c(=O)c12
InChIInChI=1S/C25H31N5O3/c1-2-20-21-24(31)27-22(18-10-6-7-11-18)28-30(21)23(26-20)19-12-14-29(15-13-19)25(32)33-16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H,27,28,31)
InChIKeyOLSAUCZUTFWEAU-UHFFFAOYSA-N
XLogP4.15
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

7-cyclopentyl-5-ethyl-2-isoquinolin-1-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788021
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945
benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate
CID 67438660
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3R)-3-(2-amino-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 136632560
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
benzyl (3R)-3-(4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)pyrrolidine-1-carboxylate
CID 163207712
benzyl pyrrolidine-1-carboxylate;5-bromo-3,6-diethylpyrazin-2-amine
CID 142247225
2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752707
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 69331448
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate (CID 135752579) is benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate is CCc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)n2nc(C3CCCC3)[nH]c(=O)c12.
What is the InChIKey of benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate?
The InChIKey is OLSAUCZUTFWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-2-20-21-24(31)27-22(18-10-6-7-11-18)28-30(21)23(26-20)19-12-14-29(15-13-19)25(32)33-16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3,(H,27,28,31).
What are the key properties of benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate?
benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate has a molecular weight of 449.56 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 135752579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).