(3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone

C24H16N2O2S — CID 2816118

IUPAC(3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2nc(-c3ccccc3)cc(-c3cccs3)c12
InChIInChI=1S/C24H16N2O2S/c25-21-20-17(19-12-7-13-29-19)14-18(15-8-3-1-4-9-15)26-24(20)28-23(21)22(27)16-10-5-2-6-11-16/h1-14H,25H2
InChIKeyHXTVVPRBKZWLTG-UHFFFAOYSA-N
MW396.47 g/mol
LogP6.04
Rot. Bonds4

About (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone

(3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 2816118) has the molecular formula C24H16N2O2S and a molecular weight of 396.47 g/mol. Its IUPAC name is (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID2816118
Molecular FormulaC24H16N2O2S
Molecular Weight396.47 g/mol
Exact Mass396.09
IUPAC Name(3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2nc(-c3ccccc3)cc(-c3cccs3)c12
InChIInChI=1S/C24H16N2O2S/c25-21-20-17(19-12-7-13-29-19)14-18(15-8-3-1-4-9-15)26-24(20)28-23(21)22(27)16-10-5-2-6-11-16/h1-14H,25H2
InChIKeyHXTVVPRBKZWLTG-UHFFFAOYSA-N
XLogP6.04
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone 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-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone (CID 2816118) is (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)oc2nc(-c3ccccc3)cc(-c3cccs3)c12.
What is the InChIKey of (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is HXTVVPRBKZWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2S/c25-21-20-17(19-12-7-13-29-19)14-18(15-8-3-1-4-9-15)26-24(20)28-23(21)22(27)16-10-5-2-6-11-16/h1-14H,25H2.
What are the key properties of (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone has a molecular weight of 396.47 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 2816118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).