5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine

C25H21ClN6S — CID 158571194

About 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine (PubChem CID 158571194) has the molecular formula C25H21ClN6S and a molecular weight of 473.01 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine
• PubChem CID: 158571194
• Molecular Formula: C25H21ClN6S
• Molecular Weight: 473.01 g/mol
• Exact Mass: 472.12
• IUPAC Name: 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine
• SMILES: CCc1ccc(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1
• InChI: InChI=1S/C25H21ClN6S/c1-2-19-9-8-15(12-28-19)14-33-25-24(27)30-22(16-6-4-3-5-7-16)23(31-25)17-10-18-13-29-32-21(18)20(26)11-17/h3-13H,2,14H2,1H3,(H2,27,30)(H,29,32)
• InChIKey: HSCGOPIKJHCFOL-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 93.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.01
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine?

The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine (CID 158571194) is 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine.

What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine?

The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine is CCc1ccc(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1.

What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine?

The InChIKey is HSCGOPIKJHCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6S/c1-2-19-9-8-15(12-28-19)14-33-25-24(27)30-22(16-6-4-3-5-7-16)23(31-25)17-10-18-13-29-32-21(18)20(26)11-17/h3-13H,2,14H2,1H3,(H2,27,30)(H,29,32).

What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine?

5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine has a molecular weight of 473.01 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 158571194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).