N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

C26H29N5O5 — CID 50795893

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
SMILESCCOc1ccc(-n2ccn3c(CCCC(=O)NCc4ccc(OC)c(OC)c4)nnc3c2=O)cc1
InChIInChI=1S/C26H29N5O5/c1-4-36-20-11-9-19(10-12-20)30-14-15-31-23(28-29-25(31)26(30)33)6-5-7-24(32)27-17-18-8-13-21(34-2)22(16-18)35-3/h8-16H,4-7,17H2,1-3H3,(H,27,32)
InChIKeyGQWKEABUQYREOR-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.94
Rot. Bonds11

About N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide

N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide (PubChem CID 50795893) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
PubChem CID50795893
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
SMILESCCOc1ccc(-n2ccn3c(CCCC(=O)NCc4ccc(OC)c(OC)c4)nnc3c2=O)cc1
InChIInChI=1S/C26H29N5O5/c1-4-36-20-11-9-19(10-12-20)30-14-15-31-23(28-29-25(31)26(30)33)6-5-7-24(32)27-17-18-8-13-21(34-2)22(16-18)35-3/h8-16H,4-7,17H2,1-3H3,(H,27,32)
InChIKeyGQWKEABUQYREOR-UHFFFAOYSA-N
XLogP2.94
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide 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

N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 20960987
4-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 50795999
3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20949103
3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide
CID 46341308
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113110019
(3S)-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(2-phenylethyl)butanamide
CID 94079693
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 50795913
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
3-[11-(2,5-dimethylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]-N-[(4-ethoxyphenyl)methyl]propanamide
CID 56685164
1-[(3,4-dimethoxyphenyl)methyl]-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913085

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide (CID 50795893) is N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide is CCOc1ccc(-n2ccn3c(CCCC(=O)NCc4ccc(OC)c(OC)c4)nnc3c2=O)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide?
The InChIKey is GQWKEABUQYREOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-4-36-20-11-9-19(10-12-20)30-14-15-31-23(28-29-25(31)26(30)33)6-5-7-24(32)27-17-18-8-13-21(34-2)22(16-18)35-3/h8-16H,4-7,17H2,1-3H3,(H,27,32).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide has a molecular weight of 491.55 g/mol, XLogP of 2.94, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide is sourced from PubChem (CID 50795893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).