N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide

C27H22N8O2S — CID 137041689

About N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137041689) has the molecular formula C27H22N8O2S and a molecular weight of 522.59 g/mol. Its IUPAC name is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137041689
• Molecular Formula: C27H22N8O2S
• Molecular Weight: 522.59 g/mol
• Exact Mass: 522.16
• IUPAC Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(C(C)=O)s6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H22N8O2S/c1-3-4-22(37)30-16-11-15(12-28-13-16)18-5-6-19-24(31-18)25(35-34-19)27-32-23-17(9-10-29-26(23)33-27)21-8-7-20(38-21)14(2)36/h5-13H,3-4H2,1-2H3,(H,30,37)(H,34,35)(H,29,32,33)
• InChIKey: GDNPMGXCGYJGOW-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.59
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137041689) is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

What is the SMILES notation for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The canonical SMILES for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(C(C)=O)s6)c5[nH]4)c3n2)c1.

What is the InChIKey of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The InChIKey is GDNPMGXCGYJGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O2S/c1-3-4-22(37)30-16-11-15(12-28-13-16)18-5-6-19-24(31-18)25(35-34-19)27-32-23-17(9-10-29-26(23)33-27)21-8-7-20(38-21)14(2)36/h5-13H,3-4H2,1-2H3,(H,30,37)(H,34,35)(H,29,32,33).

What are the key properties of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 522.59 g/mol, XLogP of 5.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137041689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).