1-[4-(4-Fluoro-phenyl)-1-methyl-1H-pyrazol-3-yl]-1-((S)-2-{[5-(1-hydroxy-ethyl)-pyrimidin-2-ylamino]-methyl}-piperidin-1-yl)-methanone

HCID 67090478

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(O)c1cnc(NC[C@@H]2CCCCN2C(=O)c2nn(C)cc2-c2ccc(F)cc2)nc1
InChIKey: LNFKWWYDUOAQSY-FUBQLUNQSA-N
Molecular formula: C23H27FN6O2
Average molar mass: 438.5 g/mol

Names & identifiers

Preferred name: 1-[4-(4-Fluoro-phenyl)-1-methyl-1H-pyrazol-3-yl]-1-((S)-2-{[5-(1-hydroxy-ethyl)-pyrimidin-2-ylamino]-methyl}-piperidin-1-yl)-methanone
IUPAC: [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-[[[5-(1-hydroxyethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone

Names & synonyms

SCHEMBL1598079LNFKWWYDUOAQSY-FUBQLUNQSA-N1-[4-(4-Fluoro-phenyl)-1-methyl-1H-pyrazol-3-yl]-1-((S)-2-{[5-(1-hydroxy-ethyl)-pyrimidin-2-ylamino]-methyl}-piperidin-1-yl)-methanone

Database identifiers

PubChem CID: 67090478

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 96.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 611

Related reactions

3 records

New reaction record

HRID 18107As productuspto-grants-2010_06

HRID 2074408As productuspto-grants-2011_04

HRID 2113538As productuspto-grants-2008_10

Compound notes

Loading…