3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

C42H34N16S — CID 145037922

About 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 145037922) has the molecular formula C42H34N16S and a molecular weight of 794.91 g/mol. Its IUPAC name is 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 145037922
• Molecular Formula: C42H34N16S
• Molecular Weight: 794.91 g/mol
• Exact Mass: 794.29
• IUPAC Name: 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: C1=C(c2ccnc3nc(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)[nH]c23)CCC1.CC.c1cnc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)cn1
• InChI: InChI=1S/C20H12N8S.C20H16N8.C2H6/c1-3-23-19-16(13(1)11-2-6-29-10-11)25-20(26-19)17-14-7-12(8-24-18(14)28-27-17)15-9-21-4-5-22-15;1-2-4-11(3-1)14-5-6-21-19-16(14)25-20(26-19)17-15-7-12(13-9-23-24-10-13)8-22-18(15)28-27-17;1-2/h1-10H,(H,23,25,26)(H,24,27,28);3,5-10H,1-2,4H2,(H,23,24)(H,21,25,26)(H,22,27,28);1-2H3
• InChIKey: NHTXREDOFCZILU-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 220.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	794.91
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 145037922) is 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is C1=C(c2ccnc3nc(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)[nH]c23)CCC1.CC.c1cnc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)cn1.

What is the InChIKey of 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

The InChIKey is NHTXREDOFCZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S.C20H16N8.C2H6/c1-3-23-19-16(13(1)11-2-6-29-10-11)25-20(26-19)17-14-7-12(8-24-18(14)28-27-17)15-9-21-4-5-22-15;1-2-4-11(3-1)14-5-6-21-19-16(14)25-20(26-19)17-15-7-12(13-9-23-24-10-13)8-22-18(15)28-27-17;1-2/h1-10H,(H,23,25,26)(H,24,27,28);3,5-10H,1-2,4H2,(H,23,24)(H,21,25,26)(H,22,27,28);1-2H3.

What are the key properties of 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 794.91 g/mol, XLogP of 8.96, 6 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145037922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).