3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide

C25H22N8O — CID 154604553

About 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604553) has the molecular formula C25H22N8O and a molecular weight of 450.51 g/mol. Its IUPAC name is 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154604553
• Molecular Formula: C25H22N8O
• Molecular Weight: 450.51 g/mol
• Exact Mass: 450.19
• IUPAC Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Cc1cnccc1CNC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N
• InChI: InChI=1S/C25H22N8O/c1-15-13-27-10-7-18(15)14-29-25(34)23-24(26)31-22(20-8-11-33(2)32-20)21(30-23)17-5-6-19-16(12-17)4-3-9-28-19/h3-13H,14H2,1-2H3,(H2,26,31)(H,29,34)
• InChIKey: WTBJIUPGCUTGAV-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 124.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.51
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604553) is 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is Cc1cnccc1CNC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccn(C)n2)nc1N.

What is the InChIKey of 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is WTBJIUPGCUTGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O/c1-15-13-27-10-7-18(15)14-29-25(34)23-24(26)31-22(20-8-11-33(2)32-20)21(30-23)17-5-6-19-16(12-17)4-3-9-28-19/h3-13H,14H2,1-2H3,(H2,26,31)(H,29,34).

What are the key properties of 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).