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

C24H20N4O2S — CID 70315355

IUPAC3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cc(-c2c(-c3ccoc3)[nH]c3ncccc23)cs1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)24(29)27-20-11-17(14-31-20)21-18-7-4-9-26-23(18)28-22(21)16-8-10-30-13-16/h1-11,13-14,19H,12,25H2,(H,26,28)(H,27,29)
InChIKeyLWOAWDDWGNRGRI-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.23
Rot. Bonds6

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

3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide (PubChem CID 70315355) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide
PubChem CID70315355
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cc(-c2c(-c3ccoc3)[nH]c3ncccc23)cs1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)24(29)27-20-11-17(14-31-20)21-18-7-4-9-26-23(18)28-22(21)16-8-10-30-13-16/h1-11,13-14,19H,12,25H2,(H,26,28)(H,27,29)
InChIKeyLWOAWDDWGNRGRI-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide (CID 70315355) is 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide is NCC(C(=O)Nc1cc(-c2c(-c3ccoc3)[nH]c3ncccc23)cs1)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide?
The InChIKey is LWOAWDDWGNRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-12-19(15-5-2-1-3-6-15)24(29)27-20-11-17(14-31-20)21-18-7-4-9-26-23(18)28-22(21)16-8-10-30-13-16/h1-11,13-14,19H,12,25H2,(H,26,28)(H,27,29).
What are the key properties of 3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide?
3-amino-N-[4-[2-(furan-3-yl)-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-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 70315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).