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

C23H15N3O2S — CID 139219263

IUPAC[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nc(-c3cccnc3)cc(-c3ccco3)c12
InChIInChI=1S/C23H15N3O2S/c24-20-19-16(18-9-5-11-28-18)12-17(15-8-4-10-25-13-15)26-23(19)29-22(20)21(27)14-6-2-1-3-7-14/h1-13H,24H2
InChIKeyJQRSMYKIQUZNOE-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.43
Rot. Bonds4

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

[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 139219263) has the molecular formula C23H15N3O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
PubChem CID139219263
Molecular FormulaC23H15N3O2S
Molecular Weight397.46 g/mol
Exact Mass397.09
IUPAC Name[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nc(-c3cccnc3)cc(-c3ccco3)c12
InChIInChI=1S/C23H15N3O2S/c24-20-19-16(18-9-5-11-28-18)12-17(15-8-4-10-25-13-15)26-23(19)29-22(20)21(27)14-6-2-1-3-7-14/h1-13H,24H2
InChIKeyJQRSMYKIQUZNOE-UHFFFAOYSA-N
XLogP5.43
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 629074
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
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
3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 666567
3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 667115
3-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 866470

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone (CID 139219263) is [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)sc2nc(-c3cccnc3)cc(-c3ccco3)c12.
What is the InChIKey of [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The InChIKey is JQRSMYKIQUZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2S/c24-20-19-16(18-9-5-11-28-18)12-17(15-8-4-10-25-13-15)26-23(19)29-22(20)21(27)14-6-2-1-3-7-14/h1-13H,24H2.
What are the key properties of [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
[3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 397.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 139219263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).