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

C25H29FN6O3 — CID 146531208

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCN(C)CCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1
InChIInChI=1S/C25H29FN6O3/c1-30(2)9-4-10-35-22-6-5-16(15-27-22)18-13-19-21(14-20(18)26)28-29-24-23(19)32(25(33)31(24)3)17-7-11-34-12-8-17/h5-6,13-15,17H,4,7-12H2,1-3H3
InChIKeyVBBRGFYIHDIPIX-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.17
Rot. Bonds7

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

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 146531208) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID146531208
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCN(C)CCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1
InChIInChI=1S/C25H29FN6O3/c1-30(2)9-4-10-35-22-6-5-16(15-27-22)18-13-19-21(14-20(18)26)28-29-24-23(19)32(25(33)31(24)3)17-7-11-34-12-8-17/h5-6,13-15,17H,4,7-12H2,1-3H3
InChIKeyVBBRGFYIHDIPIX-UHFFFAOYSA-N
XLogP3.17
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 146531208) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is CN(C)CCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is VBBRGFYIHDIPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-30(2)9-4-10-35-22-6-5-16(15-27-22)18-13-19-21(14-20(18)26)28-29-24-23(19)32(25(33)31(24)3)17-7-11-34-12-8-17/h5-6,13-15,17H,4,7-12H2,1-3H3.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 480.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146531208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).