4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(1-ethyl-piperidin-4-yl)-3-methoxy-benzamide

HCID 44547205
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCC3)CC(F)(F)C(=O)N4C)c(OC)c2)CC1
InChIKey
PMVOUTHKCYEMPQ-UHFFFAOYSA-N
Molecular formula
C27H35F2N7O3
Average molar mass
543.6 g/mol

Names & identifiers

Preferred name
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(1-ethyl-piperidin-4-yl)-3-methoxy-benzamide
IUPAC
4-[(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethylpiperidin-4-yl)-3-methoxybenzamide

Names & synonyms

4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(1-ethyl-piperidin-4-yl)-3-methoxy-benzamideSCHEMBL1560761

Database identifiers

PubChem CID
44547205

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

Loading…