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

C27H26N8O — CID 154658102

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

3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658102) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154658102
• Molecular Formula: C27H26N8O
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.22
• IUPAC Name: 3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: CC(C)c1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccn(C)n3)nc2N)n1
• InChI: InChI=1S/C27H26N8O/c1-16(2)20-8-4-7-19(31-20)15-30-27(36)25-26(28)33-24(22-11-13-35(3)34-22)23(32-25)18-9-10-21-17(14-18)6-5-12-29-21/h4-14,16H,15H2,1-3H3,(H2,28,33)(H,30,36)
• InChIKey: OOKSBNSDMPXQSJ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 124.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	4.12
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-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658102) is 3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-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-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is CC(C)c1cccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccn(C)n3)nc2N)n1.

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

The InChIKey is OOKSBNSDMPXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-16(2)20-8-4-7-19(31-20)15-30-27(36)25-26(28)33-24(22-11-13-35(3)34-22)23(32-25)18-9-10-21-17(14-18)6-5-12-29-21/h4-14,16H,15H2,1-3H3,(H2,28,33)(H,30,36).

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

3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 4.12, 6 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-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).