1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone

C18H13N3O2S — CID 139219265

IUPAC1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1sc2nc(-c3cccnc3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C18H13N3O2S/c1-10(22)17-16(19)15-12(14-5-3-7-23-14)8-13(21-18(15)24-17)11-4-2-6-20-9-11/h2-9H,19H2,1H3
InChIKeyKKFLAQBENVUXOM-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.40
Rot. Bonds3

About 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone

1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone (PubChem CID 139219265) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone
PubChem CID139219265
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1sc2nc(-c3cccnc3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C18H13N3O2S/c1-10(22)17-16(19)15-12(14-5-3-7-23-14)8-13(21-18(15)24-17)11-4-2-6-20-9-11/h2-9H,19H2,1H3
InChIKeyKKFLAQBENVUXOM-UHFFFAOYSA-N
XLogP4.40
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone with MolForge

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Related Compounds

3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 629074
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-Amino-N-(2-furanylmethyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 734374
3-amino-6-(4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1086315
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
1-[3-Amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
CID 930267
7H-9-Thia-1,5,6,7-tetraazafluoren-8-one, 7-furan-2-ylmethyl-4-methoxymethyl-2-methyl-
CID 714434
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
3-amino-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 893110
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266
3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(4-pyridylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142486
3-Amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 658080

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone (CID 139219265) is 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1sc2nc(-c3cccnc3)cc(-c3ccco3)c2c1N.
What is the InChIKey of 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is KKFLAQBENVUXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-10(22)17-16(19)15-12(14-5-3-7-23-14)8-13(21-18(15)24-17)11-4-2-6-20-9-11/h2-9H,19H2,1H3.
What are the key properties of 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone?
1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 335.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 139219265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).