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

C21H16FN7O — CID 67047192

IUPAC9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
SMILESCc1nc2cnc(-n3cnc4ccncc43)nc2n1C1CCOc2c(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
InChIKeyQWKZAQZYGYYUKP-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.38
Rot. Bonds2

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

9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine (PubChem CID 67047192) has the molecular formula C21H16FN7O and a molecular weight of 401.41 g/mol. Its IUPAC name is 9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine.

Molecular Properties

Compound Name9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
PubChem CID67047192
Molecular FormulaC21H16FN7O
Molecular Weight401.41 g/mol
Exact Mass401.14
IUPAC Name9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
SMILESCc1nc2cnc(-n3cnc4ccncc43)nc2n1C1CCOc2c(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
InChIKeyQWKZAQZYGYYUKP-UHFFFAOYSA-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

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Related Compounds

2-(6-fluorobenzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]purine
CID 91034354
2-(5-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 59726984
6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine
CID 140525674
6-butyl-2-(6-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 76625643
ethane;2-(6-fluorobenzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-methylsulfanyl-7,8-dihydropurine;2-(6-fluorobenzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purine-8-thione;iodomethane
CID 160760703
1-[2-[2-(6-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-8-oxopurin-7-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 59727064
methyl 3-[2-(6-fluorobenzimidazol-1-yl)-7-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-5-yl]propanoate
CID 59726976
2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-8-pyridin-4-ylpurine
CID 59704914
9-(6,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(6-fluorobenzimidazol-1-yl)-7-(2-methylpropyl)purin-8-one
CID 59726940
8-(3-bromophenyl)-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)purine
CID 59705025
2-(benzimidazol-1-yl)-9-(oxan-4-yl)-8-phenylpurine
CID 59705009
9-(6,8-difluoro-3,4-dihydro-2H-chromen-4-yl)-7-(3-hydroxypropyl)-2-(6-isocyanobenzimidazol-1-yl)purin-8-one
CID 59726901

Frequently Asked Questions

What is the IUPAC name of 9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
The IUPAC name of 9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine (CID 67047192) is 9-(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-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
The canonical SMILES for 9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine is Cc1nc2cnc(-n3cnc4ccncc43)nc2n1C1CCOc2c(F)cccc21.
What is the InChIKey of 9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
The InChIKey is QWKZAQZYGYYUKP-UHFFFAOYSA-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.
What are the key properties of 9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine?
9-(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-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine is sourced from PubChem (CID 67047192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).