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

C30H25N9O — CID 154658010

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

3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658010) has the molecular formula C30H25N9O and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154658010
• Molecular Formula: C30H25N9O
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.22
• IUPAC Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1-c1ccccn1
• InChI: InChI=1S/C30H25N9O/c1-18-8-10-21(35-25(18)23-7-3-4-13-33-23)17-34-30(40)28-29(31)37-27(24-12-15-39(2)38-24)26(36-28)20-9-11-22-19(16-20)6-5-14-32-22/h3-16H,17H2,1-2H3,(H2,31,37)(H,34,40)
• InChIKey: AFTWKNNVSPGRRU-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 137.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658010) is 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

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

The canonical SMILES for 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1-c1ccccn1.

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

The InChIKey is AFTWKNNVSPGRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N9O/c1-18-8-10-21(35-25(18)23-7-3-4-13-33-23)17-34-30(40)28-29(31)37-27(24-12-15-39(2)38-24)26(36-28)20-9-11-22-19(16-20)6-5-14-32-22/h3-16H,17H2,1-2H3,(H2,31,37)(H,34,40).

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

3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 527.59 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).