[4-((s)-2-Hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-[5-methyl-3-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-1h-pyrazol-4-yl]-methanone

HCID 57555076

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Basic information

Standard SMILES: Cc1c(C(=O)N2CCC(N3CCC[C@H]3CO)CC2)c(-c2ccncc2)nn1-c1cccc(C(F)(F)F)c1
InChIKey: CLCKYZWKMSZXTM-QHCPKHFHSA-N
Molecular formula: C27H30F3N5O2
Average molar mass: 513.6 g/mol

Names & identifiers

Preferred name: [4-((s)-2-Hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-[5-methyl-3-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-1h-pyrazol-4-yl]-methanone
IUPAC: [4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-[5-methyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone

Names & synonyms

[4-((s)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-[5-methyl-3-pyridin-4-yl-1-(3-trifluoromethyl-phenyl)-1h-pyrazol-4-yl]-methanoneSCHEMBL2201207

Database identifiers

PubChem CID: 57555076

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 74.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 37
Formal charge: 0
Complexity: 772

Related reactions

1 records

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HRID 1011978As productuspto-grants-2011_07

Compound notes

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