trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C15H19FN4O — CID 167972451

IUPACtrans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1ccncc1F
InChIInChI=1S/C15H19FN4O/c16-13-8-17-2-1-12(13)7-19-14-5-11(6-15(14)21)9-20-4-3-18-10-20/h1-4,8,10-11,14-15,19,21H,5-7,9H2/t11?,14-,15-/m1/s1
InChIKeyIXLNDKVXGXZJRA-PJYWTSEFSA-N
MW290.34 g/mol
LogP1.35
Rot. Bonds5

About trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167972451) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID167972451
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Nametrans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1ccncc1F
InChIInChI=1S/C15H19FN4O/c16-13-8-17-2-1-12(13)7-19-14-5-11(6-15(14)21)9-20-4-3-18-10-20/h1-4,8,10-11,14-15,19,21H,5-7,9H2/t11?,14-,15-/m1/s1
InChIKeyIXLNDKVXGXZJRA-PJYWTSEFSA-N
XLogP1.35
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 167972451) is trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1ccncc1F.
What is the InChIKey of trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is IXLNDKVXGXZJRA-PJYWTSEFSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-13-8-17-2-1-12(13)7-19-14-5-11(6-15(14)21)9-20-4-3-18-10-20/h1-4,8,10-11,14-15,19,21H,5-7,9H2/t11?,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 290.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-fluoro-4-pyridinyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167972451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).