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

C14H17BrN4O — CID 154803148

IUPACtrans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ncccc1Br
InChIInChI=1S/C14H17BrN4O/c15-11-2-1-3-17-14(11)18-12-6-10(7-13(12)20)8-19-5-4-16-9-19/h1-5,9-10,12-13,20H,6-8H2,(H,17,18)/t10?,12-,13-/m1/s1
InChIKeyUOSNFZUBNNZKNA-SKVSWLLESA-N
MW337.22 g/mol
LogP2.29
Rot. Bonds4

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

trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 154803148) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID154803148
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Nametrans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ncccc1Br
InChIInChI=1S/C14H17BrN4O/c15-11-2-1-3-17-14(11)18-12-6-10(7-13(12)20)8-19-5-4-16-9-19/h1-5,9-10,12-13,20H,6-8H2,(H,17,18)/t10?,12-,13-/m1/s1
InChIKeyUOSNFZUBNNZKNA-SKVSWLLESA-N
XLogP2.29
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.29
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-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 154803148) is trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1Nc1ncccc1Br.
What is the InChIKey of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is UOSNFZUBNNZKNA-SKVSWLLESA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-11-2-1-3-17-14(11)18-12-6-10(7-13(12)20)8-19-5-4-16-9-19/h1-5,9-10,12-13,20H,6-8H2,(H,17,18)/t10?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 337.22 g/mol, XLogP of 2.29, 4 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-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 154803148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).