2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

C23H33N5O5S — CID 142183994

IUPAC2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCc1nc(C)c2n1NC(C)(c1cc(S(=O)(=O)N3CCC(O)CC3)ccc1OCC)NC2=O
InChIInChI=1S/C23H33N5O5S/c1-5-7-20-24-15(3)21-22(30)25-23(4,26-28(20)21)18-14-17(8-9-19(18)33-6-2)34(31,32)27-12-10-16(29)11-13-27/h8-9,14,16,26,29H,5-7,10-13H2,1-4H3,(H,25,30)
InChIKeyFYUDSDXOXFEDCU-UHFFFAOYSA-N
MW491.61 g/mol
LogP1.85
Rot. Bonds7

About 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 142183994) has the molecular formula C23H33N5O5S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID142183994
Molecular FormulaC23H33N5O5S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC Name2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCc1nc(C)c2n1NC(C)(c1cc(S(=O)(=O)N3CCC(O)CC3)ccc1OCC)NC2=O
InChIInChI=1S/C23H33N5O5S/c1-5-7-20-24-15(3)21-22(30)25-23(4,26-28(20)21)18-14-17(8-9-19(18)33-6-2)34(31,32)27-12-10-16(29)11-13-27/h8-9,14,16,26,29H,5-7,10-13H2,1-4H3,(H,25,30)
InChIKeyFYUDSDXOXFEDCU-UHFFFAOYSA-N
XLogP1.85
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135552965
[1-[1-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylpiperidin-4-yl]-3-hydroxypropan-2-yl] nitrate
CID 162711255
2-[2-ethoxy-5-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135444735
2-[5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-propoxyphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135856742
2-[2-ethoxy-5-(4-methoxyiminopiperidin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135707862
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[5-[4-(diethoxyphosphorylmethyl)piperidin-1-yl]sulfonyl-2-ethoxyphenyl]-7-hexyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135769502
2-[2-ethoxy-5-[(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135981254
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
8-cyclopentyl-2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;8-cyclopentyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-ethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one;2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 157279735
2-[2-ethoxy-5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]-5-ethyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135707868
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (CID 142183994) is 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is CCCc1nc(C)c2n1NC(C)(c1cc(S(=O)(=O)N3CCC(O)CC3)ccc1OCC)NC2=O.
What is the InChIKey of 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is FYUDSDXOXFEDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5S/c1-5-7-20-24-15(3)21-22(30)25-23(4,26-28(20)21)18-14-17(8-9-19(18)33-6-2)34(31,32)27-12-10-16(29)11-13-27/h8-9,14,16,26,29H,5-7,10-13H2,1-4H3,(H,25,30).
What are the key properties of 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 491.61 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2,5-dimethyl-7-propyl-1,3-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 142183994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).