3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide

C25H26N8O2 — CID 138589692

About 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide

3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide (PubChem CID 138589692) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide
• PubChem CID: 138589692
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide
• SMILES: Cc1cc(C(=O)Nc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3nn2)cnc1C(N)=O
• InChI: InChI=1S/C25H26N8O2/c1-15-9-18(12-27-23(15)24(26)34)25(35)29-22-11-17-10-16(3-4-21(17)30-31-22)19-13-28-33(14-19)20-5-7-32(2)8-6-20/h3-4,9-14,20H,5-8H2,1-2H3,(H2,26,34)(H,29,31,35)
• InChIKey: OMJSASXYGVPJHC-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 131.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide?

The IUPAC name of 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide (CID 138589692) is 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide.

What is the SMILES notation for 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide?

The canonical SMILES for 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide is Cc1cc(C(=O)Nc2cc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc3nn2)cnc1C(N)=O.

What is the InChIKey of 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide?

The InChIKey is OMJSASXYGVPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-15-9-18(12-27-23(15)24(26)34)25(35)29-22-11-17-10-16(3-4-21(17)30-31-22)19-13-28-33(14-19)20-5-7-32(2)8-6-20/h3-4,9-14,20H,5-8H2,1-2H3,(H2,26,34)(H,29,31,35).

What are the key properties of 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide?

3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 138589692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).