1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide

C20H23N5O4S — CID 70230839

IUPAC1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc(N)cc2)n2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nc12
InChIInChI=1S/C20H23N5O4S/c1-29-16-8-7-15(13-3-5-14(21)6-4-13)25-17(16)23-18(24-25)20(9-10-20)19(26)22-11-12-30(2,27)28/h3-8H,9-12,21H2,1-2H3,(H,22,26)
InChIKeyVAGRWMJIIOVWEB-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.18
Rot. Bonds7

About 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide

1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide (PubChem CID 70230839) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
PubChem CID70230839
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc(N)cc2)n2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nc12
InChIInChI=1S/C20H23N5O4S/c1-29-16-8-7-15(13-3-5-14(21)6-4-13)25-17(16)23-18(24-25)20(9-10-20)19(26)22-11-12-30(2,27)28/h3-8H,9-12,21H2,1-2H3,(H,22,26)
InChIKeyVAGRWMJIIOVWEB-UHFFFAOYSA-N
XLogP1.18
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703
1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 70228749
1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 58074668
1-[5-(4-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 58074651
2-(hydroxymethyl)-4-[8-methoxy-2-[1-(2-methylpropylcarbamoyl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
CID 162672122
1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 58074619
1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide
CID 118928451
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
CID 118913997
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
[1-[8-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propylcarbamate
CID 58074661
[(2R)-3-hydroxy-2-methylpropyl] 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 162671119
(1-carbamoylcyclopropyl) 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 90795475

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide (CID 70230839) is 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide is COc1ccc(-c2ccc(N)cc2)n2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nc12.
What is the InChIKey of 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The InChIKey is VAGRWMJIIOVWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-29-16-8-7-15(13-3-5-14(21)6-4-13)25-17(16)23-18(24-25)20(9-10-20)19(26)22-11-12-30(2,27)28/h3-8H,9-12,21H2,1-2H3,(H,22,26).
What are the key properties of 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).