5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine

C23H18ClN7 — CID 137431300

About 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine

5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine (PubChem CID 137431300) has the molecular formula C23H18ClN7 and a molecular weight of 427.90 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
• PubChem CID: 137431300
• Molecular Formula: C23H18ClN7
• Molecular Weight: 427.90 g/mol
• Exact Mass: 427.13
• IUPAC Name: 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
• SMILES: Cn1ccc(-c2nc(N)c(Nc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C23H18ClN7/c1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)29-23(22(25)28-21)27-16-7-3-2-4-8-16/h2-13H,1H3,(H2,25,28)(H,27,29)
• InChIKey: SCGLPRBXJIUMLH-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 94.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.90
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine?

The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine (CID 137431300) is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine.

What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine?

The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine is Cn1ccc(-c2nc(N)c(Nc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine?

The InChIKey is SCGLPRBXJIUMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7/c1-31-11-9-18(30-31)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)29-23(22(25)28-21)27-16-7-3-2-4-8-16/h2-13H,1H3,(H2,25,28)(H,27,29).

What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine?

5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine has a molecular weight of 427.90 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 137431300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).