3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide

C24H20N4O2S — CID 24803625

IUPAC3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)24(29)28-21-11-18(22(31-21)16-8-10-30-14-16)20-13-27-23-17(20)7-4-9-26-23/h1-11,13-14,19H,12,25H2,(H,26,27)(H,28,29)
InChIKeyLKXWWEQXQORRKE-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.23
Rot. Bonds6

About 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide

3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide (PubChem CID 24803625) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide
PubChem CID24803625
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)24(29)28-21-11-18(22(31-21)16-8-10-30-14-16)20-13-27-23-17(20)7-4-9-26-23/h1-11,13-14,19H,12,25H2,(H,26,27)(H,28,29)
InChIKeyLKXWWEQXQORRKE-UHFFFAOYSA-N
XLogP5.23
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide 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-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide (CID 24803625) is 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide is NCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1.
What is the InChIKey of 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide?
The InChIKey is LKXWWEQXQORRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)24(29)28-21-11-18(22(31-21)16-8-10-30-14-16)20-13-27-23-17(20)7-4-9-26-23/h1-11,13-14,19H,12,25H2,(H,26,27)(H,28,29).
What are the key properties of 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide?
3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide has a molecular weight of 428.52 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(furan-3-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 24803625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).