2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine

C30H21N5OS — CID 137114123

About 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 137114123) has the molecular formula C30H21N5OS and a molecular weight of 499.60 g/mol. Its IUPAC name is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 137114123
• Molecular Formula: C30H21N5OS
• Molecular Weight: 499.60 g/mol
• Exact Mass: 499.15
• IUPAC Name: 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
• SMILES: c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)nccc6[nH]5)c4c3)c2)cc1
• InChI: InChI=1S/C30H21N5OS/c1-2-5-19(6-3-1)18-36-22-13-21(16-31-17-22)20-8-9-26-23(14-20)29(35-34-26)27-15-24-25(33-27)10-11-32-30(24)28-7-4-12-37-28/h1-17,33H,18H2,(H,34,35)
• InChIKey: GFYHXHJQRXIDHX-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.60
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine (CID 137114123) is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine.

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

The canonical SMILES for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine is c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)nccc6[nH]5)c4c3)c2)cc1.

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

The InChIKey is GFYHXHJQRXIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5OS/c1-2-5-19(6-3-1)18-36-22-13-21(16-31-17-22)20-8-9-26-23(14-20)29(35-34-26)27-15-24-25(33-27)10-11-32-30(24)28-7-4-12-37-28/h1-17,33H,18H2,(H,34,35).

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

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 499.60 g/mol, XLogP of 7.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 137114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).