7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C26H30FN5O4 — CID 146530799

IUPAC7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCOC5CCCCO5)nc4)cc3c21
InChIInChI=1S/C26H30FN5O4/c1-16(2)32-24-19-13-18(20(27)14-21(19)29-30-25(24)31(3)26(32)33)17-8-9-22(28-15-17)34-11-6-12-36-23-7-4-5-10-35-23/h8-9,13-16,23H,4-7,10-12H2,1-3H3
InChIKeyYRVKUJGMOOCDOW-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.38
Rot. Bonds8

About 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 146530799) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
PubChem CID146530799
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC Name7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCOC5CCCCO5)nc4)cc3c21
InChIInChI=1S/C26H30FN5O4/c1-16(2)32-24-19-13-18(20(27)14-21(19)29-30-25(24)31(3)26(32)33)17-8-9-22(28-15-17)34-11-6-12-36-23-7-4-5-10-35-23/h8-9,13-16,23H,4-7,10-12H2,1-3H3
InChIKeyYRVKUJGMOOCDOW-UHFFFAOYSA-N
XLogP4.38
TPSA93.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.38
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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Related Compounds

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
3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 138494910
8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 163706065
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
8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530575
3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium
CID 126710630
8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648158
3-methyl-8-[6-[(1-methylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648164
8-[6-[(1S)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648246
8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648247
8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648214
8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648318

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 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) is 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCOC5CCCCO5)nc4)cc3c21.
What is the InChIKey of 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
The InChIKey is YRVKUJGMOOCDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-16(2)32-24-19-13-18(20(27)14-21(19)29-30-25(24)31(3)26(32)33)17-8-9-22(28-15-17)34-11-6-12-36-23-7-4-5-10-35-23/h8-9,13-16,23H,4-7,10-12H2,1-3H3.
What are the key properties of 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?
7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 495.56 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146530799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).