2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine

C17H23N5 — CID 95819472

IUPAC2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine
SMILESc1cn(-c2nccnc2[C@H]2CCCN2C2CCCCC2)cn1
InChIInChI=1S/C17H23N5/c1-2-5-14(6-3-1)22-11-4-7-15(22)16-17(20-9-8-19-16)21-12-10-18-13-21/h8-10,12-15H,1-7,11H2/t15-/m1/s1
InChIKeyUSXZTTZJBNDFKN-OAHLLOKOSA-N
MW297.41 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine

2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine (PubChem CID 95819472) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine.

Molecular Properties

Compound Name2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine
PubChem CID95819472
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine
SMILESc1cn(-c2nccnc2[C@H]2CCCN2C2CCCCC2)cn1
InChIInChI=1S/C17H23N5/c1-2-5-14(6-3-1)22-11-4-7-15(22)16-17(20-9-8-19-16)21-12-10-18-13-21/h8-10,12-15H,1-7,11H2/t15-/m1/s1
InChIKeyUSXZTTZJBNDFKN-OAHLLOKOSA-N
XLogP3.13
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine?
The IUPAC name of 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine (CID 95819472) is 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine.
What is the SMILES notation for 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine?
The canonical SMILES for 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine is c1cn(-c2nccnc2[C@H]2CCCN2C2CCCCC2)cn1.
What is the InChIKey of 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine?
The InChIKey is USXZTTZJBNDFKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-5-14(6-3-1)22-11-4-7-15(22)16-17(20-9-8-19-16)21-12-10-18-13-21/h8-10,12-15H,1-7,11H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine?
2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine has a molecular weight of 297.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine is sourced from PubChem (CID 95819472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).