4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol

C23H20FN5O — CID 71032956

IUPAC4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
SMILESNC1=N[C@](c2ccc(O)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12
InChIInChI=1S/C23H20FN5O/c24-20-19(6-2-11-26-20)15-4-1-5-17(14-15)23(16-7-9-18(30)10-8-16)21-27-12-3-13-29(21)22(25)28-23/h1-2,4-11,14,30H,3,12-13H2,(H2,25,28)/t23-/m1/s1
InChIKeyLKKUZEUTUPVHGL-HSZRJFAPSA-N
MW401.45 g/mol
LogP3.27
Rot. Bonds3

About 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol

4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol (PubChem CID 71032956) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol.

Molecular Properties

Compound Name4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
PubChem CID71032956
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
SMILESNC1=N[C@](c2ccc(O)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12
InChIInChI=1S/C23H20FN5O/c24-20-19(6-2-11-26-20)15-4-1-5-17(14-15)23(16-7-9-18(30)10-8-16)21-27-12-3-13-29(21)22(25)28-23/h1-2,4-11,14,30H,3,12-13H2,(H2,25,28)/t23-/m1/s1
InChIKeyLKKUZEUTUPVHGL-HSZRJFAPSA-N
XLogP3.27
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
The IUPAC name of 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol (CID 71032956) is 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol.
What is the SMILES notation for 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
The canonical SMILES for 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol is NC1=N[C@](c2ccc(O)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12.
What is the InChIKey of 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
The InChIKey is LKKUZEUTUPVHGL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-20-19(6-2-11-26-20)15-4-1-5-17(14-15)23(16-7-9-18(30)10-8-16)21-27-12-3-13-29(21)22(25)28-23/h1-2,4-11,14,30H,3,12-13H2,(H2,25,28)/t23-/m1/s1.
What are the key properties of 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol?
4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol has a molecular weight of 401.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8R)-6-amino-8-[3-(2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol is sourced from PubChem (CID 71032956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).