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

C21H18ClN7O2 — CID 137430754

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

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide (PubChem CID 137430754) has the molecular formula C21H18ClN7O2 and a molecular weight of 435.88 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
• PubChem CID: 137430754
• Molecular Formula: C21H18ClN7O2
• Molecular Weight: 435.88 g/mol
• Exact Mass: 435.12
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
• SMILES: Cn1ccc(-c2nc(N)c(C(=O)NC3COC3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C21H18ClN7O2/c1-29-6-4-15(28-29)18-17(12-7-11-3-2-5-24-16(11)14(22)8-12)26-19(20(23)27-18)21(30)25-13-9-31-10-13/h2-8,13H,9-10H2,1H3,(H2,23,27)(H,25,30)
• InChIKey: WJUCQWRJRHJXJN-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 120.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.88
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide (CID 137430754) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC3COC3)nc2-c2cc(Cl)c3ncccc3c2)n1.

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

The InChIKey is WJUCQWRJRHJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O2/c1-29-6-4-15(28-29)18-17(12-7-11-3-2-5-24-16(11)14(22)8-12)26-19(20(23)27-18)21(30)25-13-9-31-10-13/h2-8,13H,9-10H2,1H3,(H2,23,27)(H,25,30).

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

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide has a molecular weight of 435.88 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).