1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

C23H24N4O4 — CID 162666111

IUPAC1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C23H24N4O4/c1-13(2)11-24-22(29)23(8-9-23)21-25-19-18(30-3)7-6-17(27(19)26-21)14-4-5-16-15(10-14)12-31-20(16)28/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,24,29)
InChIKeyJAYQDGUZZZOSNO-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.88
Rot. Bonds6

About 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 162666111) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID162666111
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C23H24N4O4/c1-13(2)11-24-22(29)23(8-9-23)21-25-19-18(30-3)7-6-17(27(19)26-21)14-4-5-16-15(10-14)12-31-20(16)28/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,24,29)
InChIKeyJAYQDGUZZZOSNO-UHFFFAOYSA-N
XLogP2.88
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

Isobutyl 1-(8-methoxy-5-(1-oxo-1,3-dihydroisobenzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
CID 71611998
1-[5-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-2-yl]Cyclopropanecarboxylic acid
CID 68654944
2-(Hydroxymethyl)-4-[2-[1-(2-hydroxy-2-methylpropoxy)carbonylcyclopropyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
CID 162647458
AT5ZB25Dhj
CID 162651718
4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
CID 46830628
5-(2-Cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
CID 46831224
4-(2-Cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
CID 46831523
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one
CID 46831527
4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one
CID 46831812
1-[5-(3-Cyanophenyl)-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46832632
1-[4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
CID 46834114
Methyl 3-(2-cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 46834386

Frequently Asked Questions

What is the IUPAC name of 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 162666111) is 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)NCC(C)C)CC3)nc12.
What is the InChIKey of 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is JAYQDGUZZZOSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-13(2)11-24-22(29)23(8-9-23)21-25-19-18(30-3)7-6-17(27(19)26-21)14-4-5-16-15(10-14)12-31-20(16)28/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,24,29).
What are the key properties of 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 162666111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).