1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol

C19H19F2N5O — CID 166322763

IUPAC1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol
SMILESOC(Cn1cnc2c(N3CCC=C(c4ccccc4)C3)ncnc21)C(F)F
InChIInChI=1S/C19H19F2N5O/c20-17(21)15(27)10-26-12-24-16-18(22-11-23-19(16)26)25-8-4-7-14(9-25)13-5-2-1-3-6-13/h1-3,5-7,11-12,15,17,27H,4,8-10H2
InChIKeyLSQANLFUGSOAHO-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.75
Rot. Bonds5

About 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol

1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol (PubChem CID 166322763) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol
PubChem CID166322763
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol
SMILESOC(Cn1cnc2c(N3CCC=C(c4ccccc4)C3)ncnc21)C(F)F
InChIInChI=1S/C19H19F2N5O/c20-17(21)15(27)10-26-12-24-16-18(22-11-23-19(16)26)25-8-4-7-14(9-25)13-5-2-1-3-6-13/h1-3,5-7,11-12,15,17,27H,4,8-10H2
InChIKeyLSQANLFUGSOAHO-UHFFFAOYSA-N
XLogP2.75
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol (CID 166322763) is 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol is OC(Cn1cnc2c(N3CCC=C(c4ccccc4)C3)ncnc21)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol?
The InChIKey is LSQANLFUGSOAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c20-17(21)15(27)10-26-12-24-16-18(22-11-23-19(16)26)25-8-4-7-14(9-25)13-5-2-1-3-6-13/h1-3,5-7,11-12,15,17,27H,4,8-10H2.
What are the key properties of 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol?
1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol has a molecular weight of 371.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol is sourced from PubChem (CID 166322763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).