5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one

C77H90Cl2N8O8S3 — CID 162225815

IUPAC5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one
SMILESCC(C)(C)n1cc(C#CCNC(=O)C(Cl)Cl)c2ccsc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2ncccc2c1=O.Cc1cc2c(=O)n(C(C)(C)C)ccc2o1.Cc1cc2c(=O)n(C(C)(C)C)ccc2s1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1
InChIInChI=1S/C16H16Cl2N2O2S.C14H17NO.C12H14N2O.C12H15NO2.C12H15NOS.C11H13NOS/c1-16(2,3)20-9-10(5-4-7-19-14(21)13(17)18)11-6-8-23-12(11)15(20)22;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;2*1-8-7-9-10(15-8)5-6-13(11(9)14)12(2,3)4;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h6,8-9,13H,7H2,1-3H3,(H,19,21);5-9H,1-4H3;4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3
InChIKeyZUTAZUSYBMVRPZ-UHFFFAOYSA-N
MW1422.72 g/mol
LogP16.91
Rot. Bonds2

About 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one

5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one (PubChem CID 162225815) has the molecular formula C77H90Cl2N8O8S3 and a molecular weight of 1422.72 g/mol. Its IUPAC name is 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one
PubChem CID162225815
Molecular FormulaC77H90Cl2N8O8S3
Molecular Weight1422.72 g/mol
Exact Mass1420.54
IUPAC Name5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one
SMILESCC(C)(C)n1cc(C#CCNC(=O)C(Cl)Cl)c2ccsc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2ncccc2c1=O.Cc1cc2c(=O)n(C(C)(C)C)ccc2o1.Cc1cc2c(=O)n(C(C)(C)C)ccc2s1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1
InChIInChI=1S/C16H16Cl2N2O2S.C14H17NO.C12H14N2O.C12H15NO2.C12H15NOS.C11H13NOS/c1-16(2,3)20-9-10(5-4-7-19-14(21)13(17)18)11-6-8-23-12(11)15(20)22;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;2*1-8-7-9-10(15-8)5-6-13(11(9)14)12(2,3)4;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h6,8-9,13H,7H2,1-3H3,(H,19,21);5-9H,1-4H3;4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3
InChIKeyZUTAZUSYBMVRPZ-UHFFFAOYSA-N
XLogP16.91
TPSA187.13 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001422.72
LogP ≤ 516.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine;5-tert-butylthieno[3,2-c]pyridin-4-one
CID 157229925
6-tert-butyl-7-methylidenefuro[2,3-c]pyridine;2-tert-butyl-1-methylideneisoquinoline;bis(6-tert-butyl-5-methylidene-1,6-naphthyridine);7-tert-butyl-8-methylidene-1,7-naphthyridine;5-tert-butyl-4-methylidenethieno[3,2-c]pyridine;bis(6-tert-butyl-7-methylidenethieno[2,3-c]pyridine);N-[3-(6-tert-butyl-7-methylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methyl-4-methylidenefuro[3,2-c]pyridine;2-tert-butyl-6-methyl-1-methylideneisoquinoline;5-tert-butyl-2-methyl-4-methylidenethieno[3,2-c]pyridine
CID 157995898
2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione;6-tert-butylthieno[2,3-c]pyridin-7-one
CID 158075130
2-tert-butylisoquinoline-1-thione;2-tert-butylisoquinolin-1-one;5-tert-butyl-2-methylfuro[3,2-c]pyridine-4-thione;2-tert-butyl-6-methylisoquinoline-1-thione;2-tert-butyl-7-methylisoquinoline-1-thione;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-7-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridine-4-thione;6-tert-butyl-1,6-naphthyridine-5-thione;6-tert-butyl-1,6-naphthyridin-5-one;7-tert-butyl-1,7-naphthyridin-8-one;N-[3-(6-tert-butyl-7-sulfanylidenethieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridine-7-thione
CID 159829062

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one?
The IUPAC name of 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one (CID 162225815) is 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one?
The canonical SMILES for 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one is CC(C)(C)n1cc(C#CCNC(=O)C(Cl)Cl)c2ccsc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2ncccc2c1=O.Cc1cc2c(=O)n(C(C)(C)C)ccc2o1.Cc1cc2c(=O)n(C(C)(C)C)ccc2s1.Cc1ccc2c(=O)n(C(C)(C)C)ccc2c1.
What is the InChIKey of 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one?
The InChIKey is ZUTAZUSYBMVRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S.C14H17NO.C12H14N2O.C12H15NO2.C12H15NOS.C11H13NOS/c1-16(2,3)20-9-10(5-4-7-19-14(21)13(17)18)11-6-8-23-12(11)15(20)22;1-10-5-6-12-11(9-10)7-8-15(13(12)16)14(2,3)4;1-12(2,3)14-8-6-10-9(11(14)15)5-4-7-13-10;2*1-8-7-9-10(15-8)5-6-13(11(9)14)12(2,3)4;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h6,8-9,13H,7H2,1-3H3,(H,19,21);5-9H,1-4H3;4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3.
What are the key properties of 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one?
5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one has a molecular weight of 1422.72 g/mol, XLogP of 16.91, 2 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylfuro[3,2-c]pyridin-4-one;2-tert-butyl-6-methylisoquinolin-1-one;5-tert-butyl-2-methylthieno[3,2-c]pyridin-4-one;6-tert-butyl-1,6-naphthyridin-5-one;N-[3-(6-tert-butyl-7-oxothieno[2,3-c]pyridin-4-yl)prop-2-ynyl]-2,2-dichloroacetamide;6-tert-butylthieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 162225815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).