5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C23H16N6OS — CID 136936978

About 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 136936978) has the molecular formula C23H16N6OS and a molecular weight of 424.49 g/mol. Its IUPAC name is 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
• PubChem CID: 136936978
• Molecular Formula: C23H16N6OS
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.11
• IUPAC Name: 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
• SMILES: Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)nc23)s1
• InChI: InChI=1S/C23H16N6OS/c1-12-2-5-19(31-12)22-21-18(6-7-25-22)26-23(27-21)20-16-9-13(3-4-17(16)28-29-20)14-8-15(30)11-24-10-14/h2-11,30H,1H3,(H,26,27)(H,28,29)
• InChIKey: CXOCKJBYLCQYPT-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?

The IUPAC name of 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 136936978) is 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

What is the SMILES notation for 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?

The canonical SMILES for 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)nc23)s1.

What is the InChIKey of 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?

The InChIKey is CXOCKJBYLCQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6OS/c1-12-2-5-19(31-12)22-21-18(6-7-25-22)26-23(27-21)20-16-9-13(3-4-17(16)28-29-20)14-8-15(30)11-24-10-14/h2-11,30H,1H3,(H,26,27)(H,28,29).

What are the key properties of 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?

5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 424.49 g/mol, XLogP of 5.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 136936978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).