trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol

C15H17F3N4O — CID 146113080

IUPACtrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)11-1-2-14(20-7-11)21-12-5-10(6-13(12)23)8-22-4-3-19-9-22/h1-4,7,9-10,12-13,23H,5-6,8H2,(H,20,21)/t10?,12-,13-/m1/s1
InChIKeyZMPYYXIIIOHISE-SKVSWLLESA-N
MW326.32 g/mol
LogP2.55
Rot. Bonds4

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol (PubChem CID 146113080) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol
PubChem CID146113080
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)11-1-2-14(20-7-11)21-12-5-10(6-13(12)23)8-22-4-3-19-9-22/h1-4,7,9-10,12-13,23H,5-6,8H2,(H,20,21)/t10?,12-,13-/m1/s1
InChIKeyZMPYYXIIIOHISE-SKVSWLLESA-N
XLogP2.55
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol (CID 146113080) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol?
The InChIKey is ZMPYYXIIIOHISE-SKVSWLLESA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)11-1-2-14(20-7-11)21-12-5-10(6-13(12)23)8-22-4-3-19-9-22/h1-4,7,9-10,12-13,23H,5-6,8H2,(H,20,21)/t10?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol?
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol has a molecular weight of 326.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 146113080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).