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

HCID 57555044

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Basic information

Standard SMILES: Cc1c(C(=O)N2CCC(N3CCC[C@H]3CO)CC2)c(-c2cncnc2)nn1-c1cccc(C(F)(F)F)c1
InChIKey: LDWLNPLJQTULTD-QFIPXVFZSA-N
Molecular formula: C26H29F3N6O2
Average molar mass: 514.5 g/mol

Names & identifiers

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

Names & synonyms

[4-((s)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-[5-methyl-3-pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-1h-pyrazol-4-yl]-methanoneSCHEMBL2201008

Database identifiers

PubChem CID: 57555044

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 37
Formal charge: 0
Complexity: 774

Related reactions

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HRID 1011991As productuspto-grants-2011_07

Compound notes

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