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

C19H22N6O4S — CID 70231703

IUPAC1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc(N)cc2)n2nc(C3(C(=O)NCCS(N)(=O)=O)CC3)nc12
InChIInChI=1S/C19H22N6O4S/c1-29-15-7-6-14(12-2-4-13(20)5-3-12)25-16(15)23-17(24-25)19(8-9-19)18(26)22-10-11-30(21,27)28/h2-7H,8-11,20H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyCIMCHNBJUFPUGK-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.42
Rot. Bonds7

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

1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (PubChem CID 70231703) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
PubChem CID70231703
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC Name1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc(N)cc2)n2nc(C3(C(=O)NCCS(N)(=O)=O)CC3)nc12
InChIInChI=1S/C19H22N6O4S/c1-29-15-7-6-14(12-2-4-13(20)5-3-12)25-16(15)23-17(24-25)19(8-9-19)18(26)22-10-11-30(21,27)28/h2-7H,8-11,20H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyCIMCHNBJUFPUGK-UHFFFAOYSA-N
XLogP0.42
TPSA154.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-sulfamoylethyl)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-sulfamoylethyl)cyclopropane-1-carboxamide (CID 70231703) is 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)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-sulfamoylethyl)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-sulfamoylethyl)cyclopropane-1-carboxamide is COc1ccc(-c2ccc(N)cc2)n2nc(C3(C(=O)NCCS(N)(=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-sulfamoylethyl)cyclopropane-1-carboxamide?
The InChIKey is CIMCHNBJUFPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-29-15-7-6-14(12-2-4-13(20)5-3-12)25-16(15)23-17(24-25)19(8-9-19)18(26)22-10-11-30(21,27)28/h2-7H,8-11,20H2,1H3,(H,22,26)(H2,21,27,28).
What are the key properties of 1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 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-sulfamoylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70231703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).