9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine

C21H16FN7O — CID 59704876

IUPAC9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
SMILESCc1nc2cnc(-n3cnc4ccncc43)nc2n1[C@@H]1CCOc2c(F)cccc21
InChIInChI=1S/C21H16FN7O/c1-12-26-16-9-24-21(28-11-25-15-5-7-23-10-18(15)28)27-20(16)29(12)17-6-8-30-19-13(17)3-2-4-14(19)22/h2-5,7,9-11,17H,6,8H2,1H3/t17-/m1/s1
InChIKeyQWKZAQZYGYYUKP-QGZVFWFLSA-N
MW401.41 g/mol
LogP3.38
Rot. Bonds2

About 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine

9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine (PubChem CID 59704876) has the molecular formula C21H16FN7O and a molecular weight of 401.41 g/mol. Its IUPAC name is 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine.

Molecular Properties

Compound Name9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
PubChem CID59704876
Molecular FormulaC21H16FN7O
Molecular Weight401.41 g/mol
Exact Mass401.14
IUPAC Name9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
SMILESCc1nc2cnc(-n3cnc4ccncc43)nc2n1[C@@H]1CCOc2c(F)cccc21
InChIInChI=1S/C21H16FN7O/c1-12-26-16-9-24-21(28-11-25-15-5-7-23-10-18(15)28)27-20(16)29(12)17-6-8-30-19-13(17)3-2-4-14(19)22/h2-5,7,9-11,17H,6,8H2,1H3/t17-/m1/s1
InChIKeyQWKZAQZYGYYUKP-QGZVFWFLSA-N
XLogP3.38
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine 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 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
The IUPAC name of 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine (CID 59704876) is 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine.
What is the SMILES notation for 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
The canonical SMILES for 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine is Cc1nc2cnc(-n3cnc4ccncc43)nc2n1[C@@H]1CCOc2c(F)cccc21.
What is the InChIKey of 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
The InChIKey is QWKZAQZYGYYUKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16FN7O/c1-12-26-16-9-24-21(28-11-25-15-5-7-23-10-18(15)28)27-20(16)29(12)17-6-8-30-19-13(17)3-2-4-14(19)22/h2-5,7,9-11,17H,6,8H2,1H3/t17-/m1/s1.
What are the key properties of 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine has a molecular weight of 401.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine is sourced from PubChem (CID 59704876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).