propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate

C24H22N4O3 — CID 176939177

IUPACpropan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-16(2)31-24(30)19-7-9-21(10-8-19)27-23(29)13-17-3-5-18(6-4-17)20-11-12-28-22(14-20)25-15-26-28/h3-12,14-16H,13H2,1-2H3,(H,27,29)
InChIKeyNLAHGRMNNVVWPZ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.14
Rot. Bonds6

About propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate

propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate (PubChem CID 176939177) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
PubChem CID176939177
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Namepropan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-16(2)31-24(30)19-7-9-21(10-8-19)27-23(29)13-17-3-5-18(6-4-17)20-11-12-28-22(14-20)25-15-26-28/h3-12,14-16H,13H2,1-2H3,(H,27,29)
InChIKeyNLAHGRMNNVVWPZ-UHFFFAOYSA-N
XLogP4.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939227
N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939143
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939083
N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939050
N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939269
N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939094
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 176939255
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate (CID 176939177) is propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate?
The InChIKey is NLAHGRMNNVVWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16(2)31-24(30)19-7-9-21(10-8-19)27-23(29)13-17-3-5-18(6-4-17)20-11-12-28-22(14-20)25-15-26-28/h3-12,14-16H,13H2,1-2H3,(H,27,29).
What are the key properties of propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate has a molecular weight of 414.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate is sourced from PubChem (CID 176939177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).