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N-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide

HCID 57749249
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)c(C)n1
InChIKey
VXBCBTXWRFODAL-UHFFFAOYSA-N
Molecular formula
C23H23N7O3
Average molar mass
445.5 g/mol
Monoisotopic mass
445.18623762

Names & identifiers

Preferred name
N-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
IUPAC
N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-1-ethyl-3-methylpyrazole-4-carboxamide

Names & synonyms

SCHEMBL4293302VXBCBTXWRFODAL-UHFFFAOYSA-NN-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide

Database identifiers

PubChem CID
57749249

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Formal charge
0
Complexity
720

Related reactions

2 records
New reaction record
HRID 1537170 reaction equation
HRID 1537170As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1874455 reaction equation
HRID 1874455As productuspto-grants-2012_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes