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

C24H26FN5O3 — CID 163706065

IUPAC8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1
InChIInChI=1S/C24H26FN5O3/c1-3-4-9-33-21-6-5-15(14-26-21)17-12-18-20(13-19(17)25)27-28-23-22(18)30(24(31)29(23)2)16-7-10-32-11-8-16/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyAMMTVEHBKQANLM-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.01
Rot. Bonds6

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

8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 163706065) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID163706065
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1
InChIInChI=1S/C24H26FN5O3/c1-3-4-9-33-21-6-5-15(14-26-21)17-12-18-20(13-19(17)25)27-28-23-22(18)30(24(31)29(23)2)16-7-10-32-11-8-16/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyAMMTVEHBKQANLM-UHFFFAOYSA-N
XLogP4.01
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

7-fluoro-8-[6-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 176637598
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 175844798
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 138490581
7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530799
7-fluoro-3-methyl-8-[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 151524519
N,N-dimethyl-3-[[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine oxide
CID 131986481
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648295
7-fluoro-1-(3-methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118523351
8-[6-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648191
3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 138494910
8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 134377641
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648365

Frequently Asked Questions

What is the IUPAC name of 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 163706065) is 8-(6-butoxy-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-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is CCCCOc1ccc(-c2cc3c(cc2F)nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.
What is the InChIKey of 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is AMMTVEHBKQANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-3-4-9-33-21-6-5-15(14-26-21)17-12-18-20(13-19(17)25)27-28-23-22(18)30(24(31)29(23)2)16-7-10-32-11-8-16/h5-6,12-14,16H,3-4,7-11H2,1-2H3.
What are the key properties of 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 451.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 163706065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).