N-[3-(3-{2-[(7-Amino-5,6,7,8-tetrahydro-2-naphthalenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide

HCID 57737171

Basic information

Standard SMILES
NC1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nn5ccccc45)n3)cc2C1
InChIKey
XNGDMEUDVWMTFO-UHFFFAOYSA-N
Molecular formula
C33H29N7OS
Average molar mass
571.7 g/mol
Monoisotopic mass
571.21542975

Names & identifiers

Preferred name
N-[3-(3-{2-[(7-Amino-5,6,7,8-tetrahydro-2-naphthalenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide
IUPAC
N-[3-[3-[2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

Names & synonyms

SCHEMBL3542151XNGDMEUDVWMTFO-UHFFFAOYSA-NN-[3-(3-{2-[(7-Amino-5,6,7,8-tetrahydro-2-naphthalenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(2-thienyl)acetamide

Database identifiers

PubChem CID
57737171

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
138 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
42

Related reactions

6 records

Compound notes

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