6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one

C27H32F3NO5 — CID 162356784

IUPAC6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one
SMILESCCC(C)OCCCCCCCCOc1cc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cn1
InChIInChI=1S/C27H32F3NO5/c1-3-19(2)33-14-8-6-4-5-7-9-15-34-25-17-21-16-23(26(32)35-24(21)18-31-25)20-10-12-22(13-11-20)36-27(28,29)30/h10-13,16-19H,3-9,14-15H2,1-2H3
InChIKeyNSLNJLSFXWDFNP-UHFFFAOYSA-N
MW507.55 g/mol
LogP7.29
Rot. Bonds14

About 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one

6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one (PubChem CID 162356784) has the molecular formula C27H32F3NO5 and a molecular weight of 507.55 g/mol. Its IUPAC name is 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one
PubChem CID162356784
Molecular FormulaC27H32F3NO5
Molecular Weight507.55 g/mol
Exact Mass507.22
IUPAC Name6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one
SMILESCCC(C)OCCCCCCCCOc1cc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cn1
InChIInChI=1S/C27H32F3NO5/c1-3-19(2)33-14-8-6-4-5-7-9-15-34-25-17-21-16-23(26(32)35-24(21)18-31-25)20-10-12-22(13-11-20)36-27(28,29)30/h10-13,16-19H,3-9,14-15H2,1-2H3
InChIKeyNSLNJLSFXWDFNP-UHFFFAOYSA-N
XLogP7.29
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-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

Related Compounds

9-[2-oxo-3-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxynonyl 2-methylbutanoate
CID 162356962
7-(12-butan-2-yloxydodecoxy)-3-thiophen-3-ylpyrano[3,2-c]pyridin-2-one
CID 162357076
2-[2-[2-[3-[4-ethyl-3-(trifluoromethoxy)phenyl]-2-oxopyrano[2,3-c]pyridin-6-yl]oxyethoxy]ethoxy]ethyl 2-methylbutanoate
CID 162356885
12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl 2-methylbutanoate
CID 162356886
9-[2-oxo-3-[3-(trifluoromethylsulfanyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxynonyl 2,2-dimethylbutanoate
CID 162357057
12-[3-(4-methoxyphenyl)-2-oxopyrano[3,2-c]pyridin-7-yl]oxydodecyl prop-2-enoate
CID 162356742
6-nitro-3-[4-(trifluoromethoxy)phenyl]chromen-2-one
CID 170776276
11-[2,7-dioxo-3-[4-(trifluoromethoxy)phenyl]pyrano[3,2-c]pyridin-6-yl]undecyl 2,3-diaminopropanoate
CID 162356707
3-phenyl-7-[10-(2,3,5,5-tetramethylhexan-2-ylsulfonyl)decoxy]pyrano[3,2-c]pyridin-2-one
CID 166860481
11-[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-6-yl]oxyundecyl prop-2-enoate
CID 162356875
10-[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[3,2-c]pyridin-7-yl]oxydecyl 2-methylpropanoate
CID 168824222
7-(6-triethoxysilylhexoxy)-3-[2-(trifluoromethoxy)phenyl]chromen-2-one
CID 153305937

Frequently Asked Questions

What is the IUPAC name of 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one?
The IUPAC name of 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one (CID 162356784) is 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one.
What is the SMILES notation for 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one?
The canonical SMILES for 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one is CCC(C)OCCCCCCCCOc1cc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cn1.
What is the InChIKey of 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one?
The InChIKey is NSLNJLSFXWDFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3NO5/c1-3-19(2)33-14-8-6-4-5-7-9-15-34-25-17-21-16-23(26(32)35-24(21)18-31-25)20-10-12-22(13-11-20)36-27(28,29)30/h10-13,16-19H,3-9,14-15H2,1-2H3.
What are the key properties of 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one?
6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one has a molecular weight of 507.55 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-butan-2-yloxyoctoxy)-3-[4-(trifluoromethoxy)phenyl]pyrano[2,3-c]pyridin-2-one is sourced from PubChem (CID 162356784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).