1-(4-{(2R,4S)-4-[(3,5-bis-trifluoromethyl-benzyl)-(5-imidazol-1-yl-pyrimidin-2-yl)-amino]-2-ethyl-pyrrolidin-1-yl}-5-chloro-pyrimidin-2-yl)-piperidin-4-ol

HCID 59614331

Notes Reactions

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Basic information

Standard SMILES: CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-n3ccnc3)cn2)CN1c1nc(N2CCC(O)CC2)ncc1Cl
InChIKey: MHISIRPLCOIWBT-PKTZIBPZSA-N
Molecular formula: C31H32ClF6N9O
Average molar mass: 696.1 g/mol

Names & identifiers

Preferred name: 1-(4-{(2R,4S)-4-[(3,5-bis-trifluoromethyl-benzyl)-(5-imidazol-1-yl-pyrimidin-2-yl)-amino]-2-ethyl-pyrrolidin-1-yl}-5-chloro-pyrimidin-2-yl)-piperidin-4-ol
IUPAC: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-imidazol-1-ylpyrimidin-2-yl)amino]-2-ethylpyrrolidin-1-yl]-5-chloropyrimidin-2-yl]piperidin-4-ol

Names & synonyms

1-(4-{(2R,4S)-4-[(3,5-bis-trifluoromethyl-benzyl)-(5-imidazol-1-yl-pyrimidin-2-yl)-amino]-2-ethyl-pyrrolidin-1-yl}-5-chloro-pyrimidin-2-yl)-piperidin-4-olSCHEMBL1721663

Database identifiers

PubChem CID: 59614331

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 99.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 15
Rotatable bonds: 8
Heavy atoms: 48
Formal charge: 0
Complexity: 1,010

Related reactions

1 records

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HRID 409452As productuspto-grants-2014_06

Compound notes

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