tert-butyl (3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate

HCID 86732016
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(=O)n(-c3cccc(NC(=O)OC(C)(C)C)c3)c2n1
InChIKey
AQTDKHSKXIPJCB-UHFFFAOYSA-N
Molecular formula
C30H35N7O4
Average molar mass
557.6 g/mol
Monoisotopic mass
557.27505262

Names & identifiers

Preferred name
tert-butyl (3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
IUPAC
tert-butyl N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate

Names & synonyms

SCHEMBL16001208AQTDKHSKXIPJCB-UHFFFAOYSA-Ntert-butyl (3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate

Database identifiers

PubChem CID
86732016

Properties

Computed structural properties

XLogP
4
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
41

Related reactions

2 records
New reaction record

Compound notes

Loading…