3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C24H17ClFN7O — CID 137430751

About 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430751) has the molecular formula C24H17ClFN7O and a molecular weight of 473.90 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
• PubChem CID: 137430751
• Molecular Formula: C24H17ClFN7O
• Molecular Weight: 473.90 g/mol
• Exact Mass: 473.12
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
• SMILES: Cn1ccc(-c2nc(N)c(C(=O)Nc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C24H17ClFN7O/c1-33-10-8-18(32-33)21-20(14-11-13-3-2-9-28-19(13)17(25)12-14)30-22(23(27)31-21)24(34)29-16-6-4-15(26)5-7-16/h2-12H,1H3,(H2,27,31)(H,29,34)
• InChIKey: CHGOVYFQAALRJV-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.90
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430751) is 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)Nc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

The InChIKey is CHGOVYFQAALRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN7O/c1-33-10-8-18(32-33)21-20(14-11-13-3-2-9-28-19(13)17(25)12-14)30-22(23(27)31-21)24(34)29-16-6-4-15(26)5-7-16/h2-12H,1H3,(H2,27,31)(H,29,34).

What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?

3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 473.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).