2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

C24H18N6OS — CID 145034653

About 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145034653) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034653
• Molecular Formula: C24H18N6OS
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.13
• IUPAC Name: 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• SMILES: COC1=CC(c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)=CNC=C1
• InChI: InChI=1S/C24H18N6OS/c1-31-17-4-7-25-12-16(10-17)14-2-3-19-18(11-14)22(30-29-19)24-27-20-5-8-26-21(23(20)28-24)15-6-9-32-13-15/h2-13,25H,1H3,(H,27,28)(H,29,30)
• InChIKey: DCULQVHKHYRJOU-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 91.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (CID 145034653) is 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is COC1=CC(c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)=CNC=C1.

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

The InChIKey is DCULQVHKHYRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS/c1-31-17-4-7-25-12-16(10-17)14-2-3-19-18(11-14)22(30-29-19)24-27-20-5-8-26-21(23(20)28-24)15-6-9-32-13-15/h2-13,25H,1H3,(H,27,28)(H,29,30).

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

2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 438.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-methoxy-1H-azepin-3-yl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).