2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine

C29H25N7O — CID 137112020

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137112020) has the molecular formula C29H25N7O and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 137112020
• Molecular Formula: C29H25N7O
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.21
• IUPAC Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: c1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)nc1
• InChI: InChI=1S/C29H25N7O/c1-2-9-32-25(3-1)22-8-12-33-29-23(22)15-27(34-29)28-24-14-18(4-5-26(24)35-36-28)19-13-21(17-31-16-19)37-20-6-10-30-11-7-20/h1-5,8-9,12-17,20,30H,6-7,10-11H2,(H,33,34)(H,35,36)
• InChIKey: CHDBPYZPTNSSBP-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 104.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 137112020) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine.

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

The canonical SMILES for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)nc1.

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

The InChIKey is CHDBPYZPTNSSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O/c1-2-9-32-25(3-1)22-8-12-33-29-23(22)15-27(34-29)28-24-14-18(4-5-26(24)35-36-28)19-13-21(17-31-16-19)37-20-6-10-30-11-7-20/h1-5,8-9,12-17,20,30H,6-7,10-11H2,(H,33,34)(H,35,36).

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 487.57 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137112020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).