1-(4-(3-(hydroxymethyl)piperidin-1-yl)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone

HCID 46200056
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Basic information

Standard SMILES
CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N3CCCC(CO)C3)c2C1
InChIKey
XIKJYXSAMUWGQB-UHFFFAOYSA-N
Molecular formula
C24H28N6O3
Average molar mass
448.5 g/mol

Names & identifiers

Preferred name
1-(4-(3-(hydroxymethyl)piperidin-1-yl)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone
IUPAC
1-[4-[3-(hydroxymethyl)piperidin-1-yl]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Names & synonyms

SCHEMBL2450067XIKJYXSAMUWGQB-UHFFFAOYSA-N1-(4-(3-(hydroxymethyl)piperidin-1-yl)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone

Database identifiers

PubChem CID
46200056

Properties

Computed structural properties

XLogP
2
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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