2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C24H26N6O5 — CID 91972605

IUPAC2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCOc1ccc(N2Cc3nn(CC(=O)NCc4ccc(N5CCOCC5)cc4)c(=O)n3C2=O)cc1
InChIInChI=1S/C24H26N6O5/c1-34-20-8-6-19(7-9-20)28-15-21-26-29(24(33)30(21)23(28)32)16-22(31)25-14-17-2-4-18(5-3-17)27-10-12-35-13-11-27/h2-9H,10-16H2,1H3,(H,25,31)
InChIKeyOGQVHRRUASJXPN-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.19
Rot. Bonds7

About 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 91972605) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID91972605
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCOc1ccc(N2Cc3nn(CC(=O)NCc4ccc(N5CCOCC5)cc4)c(=O)n3C2=O)cc1
InChIInChI=1S/C24H26N6O5/c1-34-20-8-6-19(7-9-20)28-15-21-26-29(24(33)30(21)23(28)32)16-22(31)25-14-17-2-4-18(5-3-17)27-10-12-35-13-11-27/h2-9H,10-16H2,1H3,(H,25,31)
InChIKeyOGQVHRRUASJXPN-UHFFFAOYSA-N
XLogP1.19
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51138501
N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948860
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-(quinolin-2-ylmethyl)acetamide
CID 91973098
N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948861
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75528588
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111083944
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 91972605) is 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(N5CCOCC5)cc4)c(=O)n3C2=O)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is OGQVHRRUASJXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-34-20-8-6-19(7-9-20)28-15-21-26-29(24(33)30(21)23(28)32)16-22(31)25-14-17-2-4-18(5-3-17)27-10-12-35-13-11-27/h2-9H,10-16H2,1H3,(H,25,31).
What are the key properties of 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 478.51 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 91972605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).