6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine

C19H14FN7O3 — CID 140525674

IUPAC6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine
SMILESNc1nc(-n2cnc3ccncc32)nc([C@@H]2CCOc3c(F)cccc32)c1[N+](=O)[O-]
InChIInChI=1S/C19H14FN7O3/c20-12-3-1-2-11-10(5-7-30-17(11)12)15-16(27(28)29)18(21)25-19(24-15)26-9-23-13-4-6-22-8-14(13)26/h1-4,6,8-10H,5,7H2,(H2,21,24,25)/t10-/m1/s1
InChIKeyDIBUNZTUOGPJGG-SNVBAGLBSA-N
MW407.37 g/mol
LogP2.75
Rot. Bonds3

About 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine

6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine (PubChem CID 140525674) has the molecular formula C19H14FN7O3 and a molecular weight of 407.37 g/mol. Its IUPAC name is 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine
PubChem CID140525674
Molecular FormulaC19H14FN7O3
Molecular Weight407.37 g/mol
Exact Mass407.11
IUPAC Name6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine
SMILESNc1nc(-n2cnc3ccncc32)nc([C@@H]2CCOc3c(F)cccc32)c1[N+](=O)[O-]
InChIInChI=1S/C19H14FN7O3/c20-12-3-1-2-11-10(5-7-30-17(11)12)15-16(27(28)29)18(21)25-19(24-15)26-9-23-13-4-6-22-8-14(13)26/h1-4,6,8-10H,5,7H2,(H2,21,24,25)/t10-/m1/s1
InChIKeyDIBUNZTUOGPJGG-SNVBAGLBSA-N
XLogP2.75
TPSA134.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
CID 67047192
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-butyl-2-(6-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 76625643
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-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one
CID 142701785
[4-[[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-2-pyrazolo[1,5-a]pyrazin-3-ylpyrimidin-5-yl]-oxidoazanium
CID 140604836
2-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-5-nitro-6-phenylpyrimidin-4-amine
CID 140528224
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556
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
2-(2-fluorophenyl)-3-methylimidazo[4,5-c]pyridine
CID 70925257
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 124621017

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine?
The IUPAC name of 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) is 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine is Nc1nc(-n2cnc3ccncc32)nc([C@@H]2CCOc3c(F)cccc32)c1[N+](=O)[O-].
What is the InChIKey of 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine?
The InChIKey is DIBUNZTUOGPJGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14FN7O3/c20-12-3-1-2-11-10(5-7-30-17(11)12)15-16(27(28)29)18(21)25-19(24-15)26-9-23-13-4-6-22-8-14(13)26/h1-4,6,8-10H,5,7H2,(H2,21,24,25)/t10-/m1/s1.
What are the key properties of 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine?
6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine has a molecular weight of 407.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 140525674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).