6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one

C45H53N5O5S2 — CID 158856207

IUPAC6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one
SMILESCC(C)(C)n1ccc2cccnc2c1=O.CC(C)(C)n1ccc2ccoc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2sccc2c1=O
InChIInChI=1S/C12H14N2O.C11H13NO2.2C11H13NOS/c1-12(2,3)14-8-6-9-5-4-7-13-10(9)11(14)15;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13;1-11(2,3)12-6-4-9-8(10(12)13)5-7-14-9;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyJABTVRMZBANXIX-UHFFFAOYSA-N
MW808.08 g/mol
LogP10.14
Rot. Bonds

About 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one

6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one (PubChem CID 158856207) has the molecular formula C45H53N5O5S2 and a molecular weight of 808.08 g/mol. Its IUPAC name is 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one
PubChem CID158856207
Molecular FormulaC45H53N5O5S2
Molecular Weight808.08 g/mol
Exact Mass807.35
IUPAC Name6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one
SMILESCC(C)(C)n1ccc2cccnc2c1=O.CC(C)(C)n1ccc2ccoc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2sccc2c1=O
InChIInChI=1S/C12H14N2O.C11H13NO2.2C11H13NOS/c1-12(2,3)14-8-6-9-5-4-7-13-10(9)11(14)15;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13;1-11(2,3)12-6-4-9-8(10(12)13)5-7-14-9;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyJABTVRMZBANXIX-UHFFFAOYSA-N
XLogP10.14
TPSA114.03 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.08
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-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

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216724
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-furancarboxamide
CID 646973
(4-Benzyl-4H-thieno[3,2-b]pyrrol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methanone
CID 653524
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211279

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one (CID 158856207) is 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one is CC(C)(C)n1ccc2cccnc2c1=O.CC(C)(C)n1ccc2ccoc2c1=O.CC(C)(C)n1ccc2ccsc2c1=O.CC(C)(C)n1ccc2sccc2c1=O.
What is the InChIKey of 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one?
The InChIKey is JABTVRMZBANXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C11H13NO2.2C11H13NOS/c1-12(2,3)14-8-6-9-5-4-7-13-10(9)11(14)15;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13;1-11(2,3)12-6-4-9-8(10(12)13)5-7-14-9;1-11(2,3)12-6-4-8-5-7-14-9(8)10(12)13/h4-8H,1-3H3;3*4-7H,1-3H3.
What are the key properties of 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one?
6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one has a molecular weight of 808.08 g/mol, XLogP of 10.14, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 158856207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).