N-[3-(4-fluoro-3-{2-[(2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide

HCID 57737245
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Basic information

Standard SMILES
CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nn5cccc(F)c45)n3)cc2C1
InChIKey
HVUVJTYWQFGSBR-UHFFFAOYSA-N
Molecular formula
C33H28FN7OS
Average molar mass
589.7 g/mol
Monoisotopic mass
589.20600788

Names & identifiers

Preferred name
N-[3-(4-fluoro-3-{2-[(2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide
IUPAC
N-[3-[4-fluoro-3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

Names & synonyms

SCHEMBL3545435HVUVJTYWQFGSBR-UHFFFAOYSA-NN-[3-(4-fluoro-3-{2-[(2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide

Database identifiers

PubChem CID
57737245

Properties

Computed structural properties

XLogP
5
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
43

Related reactions

2 records
New reaction record

Compound notes

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