2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

C27H23N7OS — CID 136936936

About 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136936936) has the molecular formula C27H23N7OS and a molecular weight of 493.60 g/mol. Its IUPAC name is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136936936
• Molecular Formula: C27H23N7OS
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.17
• IUPAC Name: 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
• SMILES: c1csc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C27H23N7OS/c1-2-23(36-11-1)26-25-22(7-10-30-26)31-27(32-25)24-20-13-16(3-4-21(20)33-34-24)17-12-19(15-29-14-17)35-18-5-8-28-9-6-18/h1-4,7,10-15,18,28H,5-6,8-9H2,(H,31,32)(H,33,34)
• InChIKey: OQTYWDYSHICKCA-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 104.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.60
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (CID 136936936) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is c1csc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)c1.

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

The InChIKey is OQTYWDYSHICKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7OS/c1-2-23(36-11-1)26-25-22(7-10-30-26)31-27(32-25)24-20-13-16(3-4-21(20)33-34-24)17-12-19(15-29-14-17)35-18-5-8-28-9-6-18/h1-4,7,10-15,18,28H,5-6,8-9H2,(H,31,32)(H,33,34).

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 493.60 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).