[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone

C23H16N2O4S — CID 2817133

IUPAC[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2oc3nc(-c4cccs4)cc(-c4ccco4)c3c2N)c1
InChIInChI=1S/C23H16N2O4S/c1-27-14-6-2-5-13(11-14)21(26)22-20(24)19-15(17-7-3-9-28-17)12-16(25-23(19)29-22)18-8-4-10-30-18/h2-12H,24H2,1H3
InChIKeyWNMKPPWENWGQHI-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.64
Rot. Bonds5

About [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone

[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 2817133) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
PubChem CID2817133
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2oc3nc(-c4cccs4)cc(-c4ccco4)c3c2N)c1
InChIInChI=1S/C23H16N2O4S/c1-27-14-6-2-5-13(11-14)21(26)22-20(24)19-15(17-7-3-9-28-17)12-16(25-23(19)29-22)18-8-4-10-30-18/h2-12H,24H2,1H3
InChIKeyWNMKPPWENWGQHI-UHFFFAOYSA-N
XLogP5.64
TPSA91.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone (CID 2817133) is [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2oc3nc(-c4cccs4)cc(-c4ccco4)c3c2N)c1.
What is the InChIKey of [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is WNMKPPWENWGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S/c1-27-14-6-2-5-13(11-14)21(26)22-20(24)19-15(17-7-3-9-28-17)12-16(25-23(19)29-22)18-8-4-10-30-18/h2-12H,24H2,1H3.
What are the key properties of [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone?
[3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 416.46 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(furan-2-yl)-6-thiophen-2-ylfuro[2,3-b]pyridin-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 2817133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).