3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C26H21F3N8O2 — CID 154604574

About 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604574) has the molecular formula C26H21F3N8O2 and a molecular weight of 534.50 g/mol. Its IUPAC name is 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154604574
• Molecular Formula: C26H21F3N8O2
• Molecular Weight: 534.50 g/mol
• Exact Mass: 534.17
• IUPAC Name: 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: COc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1C(F)(F)F
• InChI: InChI=1S/C26H21F3N8O2/c1-37-11-9-18(36-37)21-20(15-5-7-17-14(12-15)4-3-10-31-17)34-22(24(30)35-21)25(38)32-13-16-6-8-19(39-2)23(33-16)26(27,28)29/h3-12H,13H2,1-2H3,(H2,30,35)(H,32,38)
• InChIKey: QWQUAQPEJKYUJL-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 133.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.50
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604574) is 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is COc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1C(F)(F)F.

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

The InChIKey is QWQUAQPEJKYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N8O2/c1-37-11-9-18(36-37)21-20(15-5-7-17-14(12-15)4-3-10-31-17)34-22(24(30)35-21)25(38)32-13-16-6-8-19(39-2)23(33-16)26(27,28)29/h3-12H,13H2,1-2H3,(H2,30,35)(H,32,38).

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

3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 534.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).