2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine

C27H23N7O2 — CID 137109789

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 137109789) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
• PubChem CID: 137109789
• Molecular Formula: C27H23N7O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.19
• IUPAC Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)nc45)nc23)co1
• InChI: InChI=1S/C27H23N7O2/c1-2-4-18(5-3-1)36-19-10-17(11-28-12-19)21-6-7-22-25(30-21)26(34-33-22)27-31-23-14-29-13-20(24(23)32-27)16-8-9-35-15-16/h6-15,18H,1-5H2,(H,31,32)(H,33,34)
• InChIKey: AWCDFOPDNDNOMF-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 118.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine (CID 137109789) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)nc45)nc23)co1.

What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?

The InChIKey is AWCDFOPDNDNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-2-4-18(5-3-1)36-19-10-17(11-28-12-19)21-6-7-22-25(30-21)26(34-33-22)27-31-23-14-29-13-20(24(23)32-27)16-8-9-35-15-16/h6-15,18H,1-5H2,(H,31,32)(H,33,34).

What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine?

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 477.53 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137109789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).