7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

C23H24FN5O4 — CID 146530470

IUPAC7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCO)nc4)c(F)cc3nnc21
InChIInChI=1S/C23H24FN5O4/c1-28-22-21(29(23(28)31)15-5-9-32-10-6-15)17-11-16(18(24)12-19(17)26-27-22)14-3-4-20(25-13-14)33-8-2-7-30/h3-4,11-13,15,30H,2,5-10H2,1H3
InChIKeyVADVOVXOCUDASJ-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.60
Rot. Bonds6

About 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 146530470) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID146530470
Molecular FormulaC23H24FN5O4
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCO)nc4)c(F)cc3nnc21
InChIInChI=1S/C23H24FN5O4/c1-28-22-21(29(23(28)31)15-5-9-32-10-6-15)17-11-16(18(24)12-19(17)26-27-22)14-3-4-20(25-13-14)33-8-2-7-30/h3-4,11-13,15,30H,2,5-10H2,1H3
InChIKeyVADVOVXOCUDASJ-UHFFFAOYSA-N
XLogP2.60
TPSA104.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one 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 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 146530470) is 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCCO)nc4)c(F)cc3nnc21.
What is the InChIKey of 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is VADVOVXOCUDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-28-22-21(29(23(28)31)15-5-9-32-10-6-15)17-11-16(18(24)12-19(17)26-27-22)14-3-4-20(25-13-14)33-8-2-7-30/h3-4,11-13,15,30H,2,5-10H2,1H3.
What are the key properties of 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 453.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146530470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).