cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol

C22H22FN3O — CID 90314776

IUPACcis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1Nc1cnc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C22H22FN3O/c23-22-16(15-7-2-1-3-8-15)9-6-10-17(22)19-13-25-21(14-24-19)26-18-11-4-5-12-20(18)27/h1-3,6-10,13-14,18,20,27H,4-5,11-12H2,(H,25,26)/t18?,20-/m0/s1
InChIKeyLYIQFVULJVBCTE-IJHRGXPZSA-N
MW363.44 g/mol
LogP4.67
Rot. Bonds4

About cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol

cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 90314776) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
PubChem CID90314776
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Namecis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1Nc1cnc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C22H22FN3O/c23-22-16(15-7-2-1-3-8-15)9-6-10-17(22)19-13-25-21(14-24-19)26-18-11-4-5-12-20(18)27/h1-3,6-10,13-14,18,20,27H,4-5,11-12H2,(H,25,26)/t18?,20-/m0/s1
InChIKeyLYIQFVULJVBCTE-IJHRGXPZSA-N
XLogP4.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol (CID 90314776) is cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol is O[C@H]1CCCCC1Nc1cnc(-c2cccc(-c3ccccc3)c2F)cn1.
What is the InChIKey of cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is LYIQFVULJVBCTE-IJHRGXPZSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-22-16(15-7-2-1-3-8-15)9-6-10-17(22)19-13-25-21(14-24-19)26-18-11-4-5-12-20(18)27/h1-3,6-10,13-14,18,20,27H,4-5,11-12H2,(H,25,26)/t18?,20-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 363.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 90314776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).