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

C27H23N9O — CID 137041577

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137041577) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137041577
• Molecular Formula: C27H23N9O
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.20
• IUPAC Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
• SMILES: c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)nc45)[nH]c23)ccn1
• InChI: InChI=1S/C27H23N9O/c1-2-22-24(32-21(1)17-13-19(15-30-14-17)37-18-5-10-29-11-6-18)25(36-35-22)27-33-23-20(7-12-31-26(23)34-27)16-3-8-28-9-4-16/h1-4,7-9,12-15,18,29H,5-6,10-11H2,(H,35,36)(H,31,33,34)
• InChIKey: VBGBDIAYAVOFLU-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 130.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 137041577) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)nc45)[nH]c23)ccn1.

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

The InChIKey is VBGBDIAYAVOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c1-2-22-24(32-21(1)17-13-19(15-30-14-17)37-18-5-10-29-11-6-18)25(36-35-22)27-33-23-20(7-12-31-26(23)34-27)16-3-8-28-9-4-16/h1-4,7-9,12-15,18,29H,5-6,10-11H2,(H,35,36)(H,31,33,34).

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 489.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137041577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).