2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine

C55H49FN16 — CID 137076350

About 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine

2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 137076350) has the molecular formula C55H49FN16 and a molecular weight of 953.11 g/mol. Its IUPAC name is 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 137076350
• Molecular Formula: C55H49FN16
• Molecular Weight: 953.11 g/mol
• Exact Mass: 952.43
• IUPAC Name: 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5c(C6CN(c7cncc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(CN%12CCC%12)c%11)cc9%10)nc78)CCN6)cc(-c6cncc(N7CCCCC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C55H49FN16/c56-38-7-4-6-34(17-38)43-26-59-27-45-50(43)64-55(62-45)52-42-21-35(37-18-39(25-58-24-37)71-13-2-1-3-14-71)20-41(49(42)67-69-52)47-31-72(15-10-61-47)48-29-60-28-46-53(48)65-54(63-46)51-40-19-33(8-9-44(40)66-68-51)36-16-32(22-57-23-36)30-70-11-5-12-70/h4,6-9,16-29,47,61H,1-3,5,10-15,30-31H2,(H,62,64)(H,63,65)(H,66,68)(H,67,69)
• InChIKey: WKWWRKRPOXWAGU-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 188.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.11
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine (CID 137076350) is 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine is Fc1cccc(-c2cncc3[nH]c(-c4[nH]nc5c(C6CN(c7cncc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(CN%12CCC%12)c%11)cc9%10)nc78)CCN6)cc(-c6cncc(N7CCCCC7)c6)cc45)nc23)c1.

What is the InChIKey of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?

The InChIKey is WKWWRKRPOXWAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49FN16/c56-38-7-4-6-34(17-38)43-26-59-27-45-50(43)64-55(62-45)52-42-21-35(37-18-39(25-58-24-37)71-13-2-1-3-14-71)20-41(49(42)67-69-52)47-31-72(15-10-61-47)48-29-60-28-46-53(48)65-54(63-46)51-40-19-33(8-9-44(40)66-68-51)36-16-32(22-57-23-36)30-70-11-5-12-70/h4,6-9,16-29,47,61H,1-3,5,10-15,30-31H2,(H,62,64)(H,63,65)(H,66,68)(H,67,69).

What are the key properties of 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?

2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 953.11 g/mol, XLogP of 9.59, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137076350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).