(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide

C23H32N6O5S — CID 135438378

IUPAC(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)ccc3OCC)nn12
InChIInChI=1S/C23H32N6O5S/c1-8-10-19-24-14(3)20-22(30)25-21(26-29(19)20)17-13-16(11-12-18(17)34-9-2)35(32,33)28(7)15(4)23(31)27(5)6/h11-13,15H,8-10H2,1-7H3,(H,25,26,30)/t15-/m0/s1
InChIKeySATJWGGABZXNLQ-HNNXBMFYSA-N
MW504.61 g/mol
LogP1.84
Rot. Bonds9

About (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide

(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 135438378) has the molecular formula C23H32N6O5S and a molecular weight of 504.61 g/mol. Its IUPAC name is (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide
PubChem CID135438378
Molecular FormulaC23H32N6O5S
Molecular Weight504.61 g/mol
Exact Mass504.22
IUPAC Name(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)ccc3OCC)nn12
InChIInChI=1S/C23H32N6O5S/c1-8-10-19-24-14(3)20-22(30)25-21(26-29(19)20)17-13-16(11-12-18(17)34-9-2)35(32,33)28(7)15(4)23(31)27(5)6/h11-13,15H,8-10H2,1-7H3,(H,25,26,30)/t15-/m0/s1
InChIKeySATJWGGABZXNLQ-HNNXBMFYSA-N
XLogP1.84
TPSA129.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide with MolForge

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Related Compounds

(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 135428687
1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide
CID 135520374
N-[2-(diethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708033
N-[3-(diethylamino)-2-hydroxypropyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708047
butane;N,N-dimethylformamide;2-(2-ethoxy-5-methylsulfonylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-methylpropane
CID 143282000
4-ethoxy-N-methyl-N-[2-(methylamino)ethyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135906899
4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-propylbenzenesulfonamide
CID 135906898
N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708059
ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 143281992
4-ethoxy-N-(4-ethoxyphenyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707985
4-ethoxy-N-(2-hydroxy-2-phenylethyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707938
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide (CID 135438378) is (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)ccc3OCC)nn12.
What is the InChIKey of (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is SATJWGGABZXNLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H32N6O5S/c1-8-10-19-24-14(3)20-22(30)25-21(26-29(19)20)17-13-16(11-12-18(17)34-9-2)35(32,33)28(7)15(4)23(31)27(5)6/h11-13,15H,8-10H2,1-7H3,(H,25,26,30)/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide?
(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 504.61 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 135438378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).