7-[8-(2-Methoxy-phenyl)[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

HCID 59612475
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Basic information

Standard SMILES
COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)nc12
InChIKey
JNAAUGADHYGMCP-UHFFFAOYSA-N
Molecular formula
C28H31N5O3
Average molar mass
485.6 g/mol
Monoisotopic mass
485.24268987

Names & identifiers

Preferred name
7-[8-(2-Methoxy-phenyl)[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 7-[[8-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Names & synonyms

SCHEMBL2640462JNAAUGADHYGMCP-UHFFFAOYSA-N7-[8-(2-methoxy-phenyl)[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59612475

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
81 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

Related reactions

2 records
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Compound notes

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