3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C26H23FN8O — CID 154604685

About 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604685) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154604685
• Molecular Formula: C26H23FN8O
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.20
• IUPAC Name: 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Cn1ccc(-c2nc(N)c(C(=O)NC(C)(C)c3ccc(F)cn3)nc2-c2ccc3ncccc3c2)n1
• InChI: InChI=1S/C26H23FN8O/c1-26(2,20-9-7-17(27)14-30-20)33-25(36)23-24(28)32-22(19-10-12-35(3)34-19)21(31-23)16-6-8-18-15(13-16)5-4-11-29-18/h4-14H,1-3H3,(H2,28,32)(H,33,36)
• InChIKey: LRJUPRKMXQHNAT-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 124.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604685) is 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC(C)(C)c3ccc(F)cn3)nc2-c2ccc3ncccc3c2)n1.

What is the InChIKey of 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is LRJUPRKMXQHNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-26(2,20-9-7-17(27)14-30-20)33-25(36)23-24(28)32-22(19-10-12-35(3)34-19)21(31-23)16-6-8-18-15(13-16)5-4-11-29-18/h4-14H,1-3H3,(H2,28,32)(H,33,36).

What are the key properties of 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).